data_2ysr_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 2ysr _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.3 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.834 0.349 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -54.6 -55.83 25.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.5 tp -49.5 -60.13 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.972 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -46.84 -52.48 14.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -57.21 -48.2 79.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.27 -56.45 18.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.4 t -58.19 -58.21 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.6 p -50.28 -38.82 43.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.1 m -64.73 -42.71 95.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.125 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.464 ' HG ' ' N ' ' A' ' 21' ' ' PHE . 80.7 p -70.71 -42.78 70.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.819 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.464 ' N ' ' HG ' ' A' ' 20' ' ' SER . 8.2 t80 -64.18 -57.19 10.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.4 ' CG ' ' CZ ' ' A' ' 103' ' ' PHE . 0.3 OUTLIER -41.89 -51.67 4.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -77.24 -64.06 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.459 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 87.8 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.819 0.342 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -145.08 141.19 28.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.0 p -69.81 138.93 53.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.42 -48.64 13.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.16 -66.81 0.85 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -41.75 -46.98 3.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 0.0 110.917 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.17 -44.32 79.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.449 HG21 ' CB ' ' A' ' 96' ' ' ASP . 88.0 t -43.99 -43.86 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -72.25 -55.37 7.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.589 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 2.4 t-105 -47.15 -43.38 20.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.3 tp -78.97 -51.11 10.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -47.01 -58.76 3.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -54.78 -40.78 69.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.8 tp -63.73 -34.42 77.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.8 mt -70.14 -57.98 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.962 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -53.86 -42.39 68.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -46.69 -39.67 11.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -67.29 177.41 1.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.6 t -97.15 -38.2 9.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.79 -53.26 54.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -80.55 -41.18 24.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.61 177.67 2.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -6.71 19.24 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -66.37 -29.63 69.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.78 130.96 29.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.1 t -108.95 164.72 12.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -45.0 -50.2 10.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -44.63 -48.19 10.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -57.67 -41.39 81.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.8 m -54.51 -53.32 55.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 34.7 mt -57.27 -43.01 81.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -60.51 -48.06 83.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.35 -48.02 77.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.6 tp -44.14 -42.9 6.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -46.37 -37.78 7.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -68.0 -41.73 81.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -51.98 -54.64 27.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.429 HD22 ' CG1' ' A' ' 94' ' ' VAL . 20.3 tp -59.35 -38.07 79.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -66.7 -40.03 88.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -77.62 8.15 4.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 66.77 31.94 7.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.1 t -79.91 -35.14 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 19.9 pt -141.21 124.09 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -100.28 143.72 30.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 84' ' ' ASP . 0.6 OUTLIER -60.01 169.69 1.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 86' ' ' LYS . 4.8 tt -62.26 -41.23 90.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.175 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.451 ' N ' HG22 ' A' ' 85' ' ' ILE . 20.5 mmtp -72.05 -48.77 41.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 134.95 36.56 0.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.525 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.4 ' O ' ' OD1' ' A' ' 84' ' ' ASP . 21.5 mmt180 -103.53 113.7 27.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.784 0.326 . . . . 0.0 110.849 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 29.3 p-90 -129.53 149.74 51.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 103.57 51.1 0.99 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.2 m -148.95 157.56 43.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 110.839 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -112.02 16.88 20.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -110.26 107.44 17.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.429 ' CG1' HD22 ' A' ' 77' ' ' LEU . 8.1 m -139.77 119.68 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.114 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.465 ' HB3' ' ND2' ' A' ' 97' ' ' ASN . 3.2 m-20 -89.03 159.96 17.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.449 ' CB ' HG21 ' A' ' 47' ' ' VAL . 14.2 p-10 -113.56 15.97 18.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.465 ' ND2' ' HB3' ' A' ' 95' ' ' ASP . 2.6 m-80 -86.2 -67.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -156.06 108.07 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -157.96 120.6 3.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 35.9 mt -80.26 127.71 32.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -121.17 176.4 5.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.4 ptt85 -162.74 162.55 26.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.554 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 2.7 t80 -85.32 135.29 39.12 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.598 0.714 . . . . 0.0 110.938 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.554 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 54.4 Cg_endo -69.69 -174.93 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.707 2.271 . . . . 0.0 112.388 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.076 179.886 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.4 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.804 0.335 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -52.22 -43.96 64.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.6 tp -71.52 -58.62 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -49.93 -35.14 22.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -75.79 -25.47 56.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -79.64 -45.02 19.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.451 HG12 ' N ' ' A' ' 18' ' ' THR . 6.3 p -68.79 -32.84 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.164 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.451 ' N ' HG12 ' A' ' 17' ' ' VAL . 17.3 p -75.55 -44.56 42.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.9 m -58.66 -48.81 79.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.462 ' CB ' HD11 ' A' ' 53' ' ' LEU . 3.0 m -68.23 -53.77 22.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.538 ' CD2' HD13 ' A' ' 50' ' ' LEU . 39.6 t80 -52.7 -52.37 56.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -40.11 -54.23 2.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.34 -63.37 1.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.937 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.6 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.821 0.343 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -126.36 142.4 51.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 68.0 p -62.33 143.11 57.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.85 -48.05 76.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.089 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.2 -56.22 3.37 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -50.33 -47.48 55.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 0.0 110.919 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.02 -45.04 71.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.09 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.7 t -43.48 -47.3 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -66.93 -45.86 76.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.596 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 1.5 t-105 -55.58 -51.09 68.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.538 HD13 ' CD2' ' A' ' 21' ' ' PHE . 25.9 tp -67.62 -38.53 84.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.544 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 85.9 t80 -51.62 -59.9 3.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.83 -50.95 59.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.462 HD11 ' CB ' ' A' ' 20' ' ' SER . 13.2 tp -56.44 -43.16 79.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.445 HD22 ' CD2' ' A' ' 72' ' ' LEU . 69.7 mt -64.3 -64.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.544 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 14.2 ptt85 -48.51 -43.96 35.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -45.38 -43.68 11.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.491 ' ND2' ' H ' ' A' ' 59' ' ' ASN . 8.0 t30 -72.18 174.05 7.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.436 ' N ' ' ND2' ' A' ' 57' ' ' ASN . 57.8 m -89.0 -54.83 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.491 ' H ' ' ND2' ' A' ' 57' ' ' ASN . 15.2 m120 -35.43 -55.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -79.59 -41.18 27.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.12 174.31 1.28 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.506 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -16.07 37.68 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.354 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -60.62 -28.56 68.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.8 p -61.7 133.41 27.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.3 p -116.69 166.74 11.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -42.48 -53.48 4.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -43.26 -53.31 5.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -63.18 -42.31 99.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 49.1 m -54.99 -45.8 75.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.6 mt -61.83 -49.8 82.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -49.25 -44.0 43.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.445 ' CD2' HD22 ' A' ' 54' ' ' LEU . 47.4 tp -66.49 -45.26 80.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.0 tp -42.88 -39.77 2.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.441 ' NH1' ' O ' ' A' ' 92' ' ' GLU . 26.7 mtt-85 -50.68 -46.3 58.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -52.51 -56.46 15.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -42.85 -60.09 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.463 HD22 ' CG1' ' A' ' 94' ' ' VAL . 21.0 tp -52.67 -42.35 64.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -63.36 -38.77 92.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.845 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -78.98 9.59 4.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.432 ' CG ' ' O ' ' A' ' 80' ' ' HIS . 23.5 t-160 65.77 32.32 8.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.2 t -82.52 -37.03 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.9 pt -140.19 126.26 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -102.38 151.45 22.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -81.41 154.36 26.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.4 tt -43.28 -42.1 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -80.77 -43.79 19.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 127.65 53.86 0.13 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.454 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? -91.31 17.61 8.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 9.3 p-90 -59.79 150.23 28.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 102.09 -32.81 7.1 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.533 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 85.6 p -88.97 172.27 9.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.441 ' O ' ' NH1' ' A' ' 74' ' ' ARG . 16.9 pt-20 -117.97 17.55 14.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 65.1 t-20 -90.08 108.61 19.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.463 ' CG1' HD22 ' A' ' 77' ' ' LEU . 33.7 m -140.37 163.09 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.084 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 94' ' ' VAL . 4.3 m-20 -161.86 168.94 22.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.52 10.56 5.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -57.21 177.17 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -78.66 10.17 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -63.33 107.56 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.4 mt -60.26 166.38 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -145.18 170.44 16.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -155.19 171.19 20.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.523 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 27.1 t80 -110.27 139.3 21.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.9 Cg_endo -69.76 155.85 64.85 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.688 2.258 . . . . 0.0 112.352 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.895 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.859 0.361 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -44.48 -28.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 mt -74.12 -58.16 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -51.39 -41.86 60.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -64.16 -54.37 34.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -54.13 -46.7 72.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.4 t -60.15 -63.09 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.3 p -44.27 -41.42 5.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.143 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.1 m -63.16 -59.09 5.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 m -49.19 -49.24 43.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.416 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 13.8 t80 -47.08 -62.02 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -51.71 -65.58 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -51.11 -27.32 8.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.516 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 99.2 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.866 0.365 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.417 ' CD1' ' O ' ' A' ' 41' ' ' PHE . 32.8 p90 -139.9 133.56 30.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 44.6 p -59.79 150.04 29.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.161 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.04 -51.47 69.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 45' ' ' GLU . . . -41.0 -69.48 0.5 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 44' ' ' GLY . 24.1 tt0 -36.06 -56.18 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.873 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.47 -46.93 9.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.078 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.439 ' CG1' ' HG3' ' A' ' 66' ' ' ARG . 65.3 t -45.65 -41.5 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -68.05 -52.65 32.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.595 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 1.1 t-105 -54.21 -54.4 40.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.8 tp -63.48 -48.17 78.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -50.61 -63.17 1.21 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -44.15 -46.55 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.87 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.6 tp -61.98 -43.31 99.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.9 mt -60.81 -56.02 26.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 9.5 ptm180 -57.68 -42.17 83.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.446 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 20.2 t-20 -50.1 -38.07 36.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -68.2 174.12 4.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.8 t -94.46 -51.71 4.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -38.8 -59.21 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -77.83 -42.23 34.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.66 178.96 10.01 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -16.18 37.27 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.644 2.229 . . . . 0.0 112.33 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -55.42 -35.72 65.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.404 ' CG2' ' HB2' ' A' ' 68' ' ' GLN . 14.7 p -59.72 134.47 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 66' ' ' ARG . 14.8 t -115.84 162.84 16.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.439 ' HG3' ' CG1' ' A' ' 47' ' ' VAL . 23.9 ttt-85 -37.72 -49.81 1.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -41.02 -53.01 3.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.404 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 21.8 mm100 -54.69 -43.57 72.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.1 m -54.34 -49.43 69.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.189 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 62.1 mt -59.92 -41.27 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -65.14 -50.34 66.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.6 tp -61.25 -47.37 86.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.4 tp -43.53 -45.17 6.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -43.15 -37.32 2.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -70.65 -39.66 73.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -53.25 -56.04 19.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 36.5 tp -55.02 -44.5 74.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -62.96 -36.67 84.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -81.66 16.21 1.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.419 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 23.4 t-160 60.24 32.07 20.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 67.3 t -80.92 -36.54 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.6 pt -140.7 127.48 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -104.59 148.1 26.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.411 ' HA ' ' CD1' ' A' ' 101' ' ' PHE . 0.7 OUTLIER -63.37 174.81 1.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.4 tt -73.13 -29.75 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -83.78 -46.35 12.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 133.95 44.93 0.12 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.492 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -109.92 104.07 12.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 0.0 110.906 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.53 ' O ' ' CG ' ' A' ' 89' ' ' TRP . 7.6 p-90 -130.23 119.3 22.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 141.2 37.97 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.7 p -151.61 170.0 20.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 110.854 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -117.51 17.89 14.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -96.39 103.02 14.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.1 m -144.67 124.74 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.48 153.33 21.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -79.65 11.64 3.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -80.35 178.02 8.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.05 102.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -148.65 103.6 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 18.8 mt -59.36 137.41 58.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 84' ' ' ASP . 10.8 m-85 -132.74 172.85 12.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -152.43 166.22 32.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.514 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 4.5 t80 -105.68 140.64 21.39 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.659 0.742 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.514 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.5 Cg_endo -69.85 178.4 4.67 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.287 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.884 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 12' ' ' LYS . 92.5 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.887 0.375 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 11' ' ' THR . 10.6 tmtt? -34.58 -62.42 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.455 HD22 ' CE1' ' A' ' 60' ' ' PHE . 12.1 tp -47.52 -68.01 0.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -41.84 -45.46 3.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -62.56 -36.61 83.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 13' ' ' LEU . 4.5 tm-20 -68.24 -56.82 7.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.3 p -57.79 -44.91 86.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.8 p -62.87 -56.04 20.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.1 m -50.1 -53.61 26.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.9 m -58.0 -46.07 85.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -56.89 -46.89 81.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.822 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.506 ' HG3' ' CZ ' ' A' ' 103' ' ' PHE . 1.1 ttm180 -54.2 -64.69 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -55.32 -63.23 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 28.5 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.81 0.338 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -133.45 130.18 38.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.8 p -65.26 131.08 45.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -38.19 -50.76 1.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.07 -53.95 28.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -46.44 -48.77 18.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.9 0.381 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.56 -44.55 85.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.465 ' O ' ' CB ' ' A' ' 51' ' ' TYR . 89.2 t -44.13 -36.08 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -79.53 -56.0 4.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.458 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 2.2 t-105 -49.38 -54.33 17.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.3 tp -66.38 -41.47 89.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.465 ' CB ' ' O ' ' A' ' 47' ' ' VAL . 12.7 t80 -51.64 -62.57 1.54 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -44.67 -45.02 9.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.1 tp -62.25 -40.73 97.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.459 HD22 ' CE2' ' A' ' 60' ' ' PHE . 83.3 mt -61.64 -52.25 65.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -62.85 -37.78 88.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -59.07 -37.91 78.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -58.18 165.33 2.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 91.5 p -97.26 -37.03 10.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -55.15 -42.81 73.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.459 ' CE2' HD22 ' A' ' 54' ' ' LEU . 3.2 m-30 -88.95 -59.56 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.33 175.05 37.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.439 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -2.17 9.73 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.73 2.287 . . . . 0.0 112.322 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -76.02 -24.45 55.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.6 p -62.21 126.96 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.054 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.4 p -116.29 169.28 9.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.411 ' CG ' HG12 ' A' ' 47' ' ' VAL . 22.5 ttm-85 -41.61 -49.15 4.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -43.77 -47.88 8.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -66.67 -41.65 87.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.8 m -56.87 -56.1 25.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.425 HD13 ' CG ' ' A' ' 96' ' ' ASP . 87.4 mt -52.58 -42.45 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -57.25 -47.59 80.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 53.5 tp -67.33 -40.45 85.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.0 tp -48.53 -35.01 12.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.457 ' HG3' ' CG2' ' A' ' 94' ' ' VAL . 10.7 mtt-85 -58.27 -46.9 85.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.814 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -53.22 -61.67 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -39.03 -58.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.466 HD22 ' CG1' ' A' ' 94' ' ' VAL . 41.1 tp -47.49 -50.53 23.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -66.73 -28.13 68.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -83.31 15.89 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.542 ' HB2' ' CZ3' ' A' ' 89' ' ' TRP . 3.2 t-160 56.15 31.98 19.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.597 ' O ' ' CE1' ' A' ' 103' ' ' PHE . 93.5 t -88.04 -36.87 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.5 pt -140.76 118.66 9.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -97.36 149.82 21.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -76.07 178.14 6.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.2 tp -71.84 -25.56 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -84.15 -48.07 10.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 132.06 47.35 0.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.433 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.1 mmt-85 -123.34 111.84 16.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.542 ' CZ3' ' HB2' ' A' ' 80' ' ' HIS . 31.6 p-90 -117.32 -35.78 3.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.39 70.78 3.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.518 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.4 p -162.44 161.57 27.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.843 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.443 ' O ' ' NH1' ' A' ' 74' ' ' ARG . 7.5 pt-20 -117.88 17.76 14.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -99.93 102.7 14.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.466 ' CG1' HD22 ' A' ' 77' ' ' LEU . 3.5 m -143.58 132.96 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -122.43 167.13 13.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.425 ' CG ' HD13 ' A' ' 70' ' ' ILE . 12.4 m-20 -82.21 16.29 2.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -63.95 178.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -77.69 10.28 2.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -53.0 117.69 3.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.7 153.6 41.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -141.78 172.32 12.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -160.69 171.35 19.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 81' ' ' VAL . 13.2 t80 -103.42 139.64 20.31 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.632 0.73 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.8 Cg_endo -69.75 178.72 4.28 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 2.238 . . . . 0.0 112.349 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.098 179.888 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 12' ' ' LYS . 63.1 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.87 0.367 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 11' ' ' THR . 22.5 tptt -37.66 -45.08 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.456 HD11 ' CB ' ' A' ' 59' ' ' ASN . 3.7 tt -62.0 -61.44 2.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.488 ' O ' ' CG2' ' A' ' 18' ' ' THR . 7.9 t-105 -49.83 -45.11 49.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -61.65 -39.92 93.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -65.89 -55.09 18.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.443 HG11 ' N ' ' A' ' 18' ' ' THR . 6.9 p -61.44 -36.57 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 14' ' ' TRP . 57.4 p -68.25 -43.13 78.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.9 m -66.52 -39.38 88.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.7 p -66.78 -50.64 62.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -44.97 -62.29 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -46.61 -63.75 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -53.55 -28.61 32.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.535 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 25.1 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.881 0.372 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -113.36 146.24 39.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.3 p -61.53 142.22 57.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.474 ' HB2' ' CE1' ' A' ' 101' ' ' PHE . . . -56.4 -47.47 78.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.073 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.62 -70.39 0.39 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.546 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -39.9 -54.59 2.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.72 -44.12 4.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.9 t -46.66 -43.98 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -70.37 -58.66 3.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.839 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.542 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 2.6 t-105 -45.48 -45.91 13.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.7 tp -72.3 -46.5 55.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -55.47 -63.4 1.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -45.74 -38.61 7.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 tp -68.23 -44.09 76.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 57' ' ' ASN . 26.1 mt -65.47 -62.33 1.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -43.28 -36.36 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -69.94 -37.4 75.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 54' ' ' LEU . 2.7 m120 -63.47 155.24 29.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' ASN . 30.8 t -74.59 -59.06 2.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.456 ' CB ' HD11 ' A' ' 13' ' ' LEU . 20.7 m-80 -35.97 -60.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -73.61 -45.95 49.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.18 163.91 10.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 2.96 3.08 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.622 2.215 . . . . 0.0 112.342 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -89.87 15.53 9.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.0 p -90.59 146.57 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.4 t -119.1 159.7 23.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 69' ' ' THR . 30.0 ttt85 -41.74 -57.93 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' ARG . 49.2 mt-30 -35.56 -55.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -56.7 -40.19 75.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 66' ' ' ARG . 28.7 m -59.98 -57.15 14.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.3 mt -52.33 -45.24 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -54.87 -57.49 11.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.7 tp -53.69 -43.57 69.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 tp -49.44 -42.73 43.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 57.2 mtt180 -51.95 -49.82 62.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.6 -57.88 7.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -41.06 -58.18 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 tp -56.26 -30.55 62.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -73.95 -42.56 60.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -77.46 11.91 1.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 67.35 33.02 5.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.538 ' O ' ' CE1' ' A' ' 103' ' ' PHE . 93.7 t -86.21 -27.77 6.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.9 pt -147.43 120.58 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.427 ' CG ' ' HG3' ' A' ' 102' ' ' ARG . 16.2 pt-20 -98.92 142.34 30.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -81.2 159.76 24.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.445 HG22 ' N ' ' A' ' 86' ' ' LYS . 2.7 tp -39.76 -34.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.445 ' N ' HG22 ' A' ' 85' ' ' ILE . 0.8 OUTLIER -76.68 -48.54 18.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.858 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 120.73 37.97 0.69 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.497 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -102.22 104.64 15.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 16.9 p-90 -112.79 17.92 18.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -125.81 58.32 0.68 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.6 p -161.67 158.51 26.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -117.41 17.95 14.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -99.34 102.75 14.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.7 m -140.43 129.09 25.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.126 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -117.78 168.3 10.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.55 12.2 2.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -54.16 178.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -78.88 11.64 2.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -57.15 135.47 56.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 25.9 mt -87.76 142.62 27.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.474 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 60.2 m-85 -130.61 153.9 48.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.427 ' HG3' ' CG ' ' A' ' 83' ' ' GLU . 7.4 ptm180 -142.58 175.1 10.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.538 ' CE1' ' O ' ' A' ' 81' ' ' VAL . 3.7 t80 -101.26 140.63 21.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.62 0.724 . . . . 0.0 110.94 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.7 Cg_endo -69.73 162.04 43.61 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.863 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.0 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.881 0.372 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.57 -43.66 8.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 16' ' ' GLU . 31.1 tp -72.46 -63.26 1.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 38.1 t-105 -42.27 -37.27 1.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -71.1 -34.32 71.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 13' ' ' LEU . 7.6 mt-10 -70.89 -50.95 29.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.8 p -61.15 -42.86 94.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.0 p -62.03 -48.13 81.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.3 m -57.23 -40.98 78.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 m -69.91 -57.75 4.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -53.47 -50.15 65.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.492 ' HG2' ' CE2' ' A' ' 103' ' ' PHE . 3.6 tmt_? -43.64 -57.74 3.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -67.93 -63.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.439 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 78.4 m . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.835 0.35 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -110.98 142.61 42.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.6 p -68.92 139.6 55.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.47 -45.81 62.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.082 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -45.97 -57.24 6.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -54.24 -43.65 71.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.819 0.342 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.66 80.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.2 t -43.79 -43.96 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.078 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -72.13 -41.8 66.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.513 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 3.4 t-105 -59.47 -41.03 88.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.433 ' HG ' ' CD1' ' A' ' 54' ' ' LEU . 51.7 tp -79.24 -42.36 26.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -61.23 -43.02 99.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -68.73 -23.34 64.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.505 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 6.6 tp -85.52 -27.86 25.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.433 ' CD1' ' HG ' ' A' ' 50' ' ' LEU . 12.7 mt -80.81 -44.09 19.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 4.8 ptm180 -53.94 -38.53 65.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -65.34 -38.23 89.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 28.0 t30 -62.18 152.91 31.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.3 m -80.56 -48.69 12.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -40.78 -58.59 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -80.11 -50.33 10.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.49 172.15 48.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -6.92 19.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.634 2.223 . . . . 0.0 112.372 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -67.35 -22.25 65.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p -58.63 135.82 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' ARG . 13.2 t -126.25 162.89 24.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' THR . 18.5 mtm180 -37.49 -56.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -40.8 -63.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -52.3 -44.69 65.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.1 m -53.52 -50.1 66.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 48.9 mt -54.43 -46.9 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.125 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -60.14 -47.31 86.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 73' ' ' LEU . 65.6 tp -60.75 -56.09 25.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' LEU . 10.1 tp -37.42 -43.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -46.37 -54.98 8.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -41.88 -52.56 4.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -48.06 -57.72 5.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 92' ' ' GLU . 10.4 tp -56.53 -39.48 73.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -62.49 -42.13 99.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -79.93 12.47 2.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 61.91 32.7 17.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.4 t -82.63 -29.05 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.154 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 34.5 pt -147.39 131.08 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.458 ' CG ' ' HG3' ' A' ' 102' ' ' ARG . 9.5 pt-20 -103.93 168.53 9.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.86 172.25 8.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.797 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.445 HG22 ' CD ' ' A' ' 86' ' ' LYS . 3.4 tp -37.38 -49.7 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.445 ' CD ' HG22 ' A' ' 85' ' ' ILE . 2.3 mptm? -68.67 -46.74 68.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 114.1 35.19 1.52 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.4 ptp85 -103.26 113.73 27.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 0.0 110.856 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 41.8 p-90 -101.15 176.98 5.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.31 44.19 52.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.511 ' O ' ' CG ' ' A' ' 92' ' ' GLU . 69.1 m -116.49 -29.58 6.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 91' ' ' SER . 8.5 pt-20 48.65 31.91 3.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -132.52 104.79 6.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.402 ' CG2' HD23 ' A' ' 73' ' ' LEU . 35.4 m -139.97 170.45 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -160.81 175.59 12.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -80.48 11.62 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -66.34 178.03 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.02 12.03 3.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -55.05 102.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.942 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.1 mt -56.71 147.14 23.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -136.01 174.91 10.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.458 ' HG3' ' CG ' ' A' ' 83' ' ' GLU . 14.5 ptm180 -168.05 157.12 9.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.543 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 6.2 t80 -87.01 140.12 32.73 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.696 0.76 . . . . 0.0 110.827 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.543 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.5 Cg_endo -69.75 158.75 55.89 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 179.835 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.855 0.36 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.2 ttmt -41.51 -30.52 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.8 tp -64.84 -57.47 8.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.957 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.405 ' CZ2' ' CG ' ' A' ' 79' ' ' ASN . 34.4 t-105 -50.09 -43.77 51.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -66.46 -35.4 80.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.485 ' CD ' ' C ' ' A' ' 16' ' ' GLU . 2.2 tp10 -68.26 -58.69 4.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.6 t -47.4 -55.57 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.2 p -47.13 -46.96 23.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.193 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.1 m -56.52 -60.25 3.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.449 ' CB ' HD22 ' A' ' 53' ' ' LEU . 3.9 m -45.89 -55.37 6.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -47.0 -61.39 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -52.03 -58.41 6.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.83 -24.0 61.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.047 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.433 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 59.5 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.853 0.359 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -118.45 135.71 54.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 72.8 p -56.16 131.31 47.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.193 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.8 -36.68 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.085 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -50.1 -48.78 38.55 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.539 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -52.75 -53.64 45.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -49.48 -45.03 46.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.0 t -43.02 -42.79 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -73.99 -59.8 2.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.593 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 0.9 OUTLIER -44.39 -58.89 2.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.67 -52.1 66.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -45.0 -65.75 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -41.29 -42.97 2.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.449 HD22 ' CB ' ' A' ' 20' ' ' SER . 5.8 tp -65.22 -46.64 79.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 73.3 mt -58.05 -52.92 63.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 5.5 ptm180 -62.56 -38.69 91.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.436 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 4.7 m120 -57.65 -27.48 62.87 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -79.7 162.32 25.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' ASN . 2.4 t -85.25 -57.4 3.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 58' ' ' SER . 48.7 m-80 -34.68 -45.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -91.59 -40.08 11.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.03 178.23 13.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -0.64 7.26 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.253 . . . . 0.0 112.316 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -70.41 -32.98 70.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.9 p -57.9 127.7 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 66' ' ' ARG . 14.2 t -118.87 167.33 11.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 65' ' ' THR . 20.5 mtm-85 -36.28 -53.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -46.83 -56.26 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -59.59 -40.24 86.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.8 m -57.74 -50.3 73.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.3 mt -58.96 -36.31 61.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -55.92 -44.57 78.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 42.7 tp -72.32 -33.35 67.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.5 tp -55.18 -41.11 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 27.6 mtt180 -55.53 -50.4 70.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -48.32 -57.49 5.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -41.42 -61.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.49 HD22 ' CG1' ' A' ' 94' ' ' VAL . 59.4 tp -46.24 -40.15 11.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.405 ' HD2' ' C ' ' A' ' 78' ' ' LYS . 0.5 OUTLIER -71.03 -34.17 71.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.405 ' CG ' ' CZ2' ' A' ' 14' ' ' TRP . 34.6 m-80 -83.55 15.14 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.407 ' CG ' ' O ' ' A' ' 80' ' ' HIS . 23.6 t-160 56.26 35.04 25.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.2 t -88.31 -29.13 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 18.2 pt -141.67 128.59 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -112.88 150.97 31.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -73.33 177.75 4.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 86' ' ' LYS . 4.7 tt -50.09 -41.64 18.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.427 ' N ' HG23 ' A' ' 85' ' ' ILE . 10.2 mmmt -69.16 -44.86 71.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 107.6 30.51 4.03 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -102.52 118.91 37.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 29.1 p-90 -113.85 168.09 10.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 110.47 31.61 2.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.449 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.5 p -145.61 167.61 22.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.81 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 8.4 mm-40 -118.02 -15.42 9.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -58.26 102.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.49 ' CG1' HD22 ' A' ' 77' ' ' LEU . 28.6 m -139.81 123.42 18.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -124.36 162.59 23.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -77.62 8.32 4.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -56.47 178.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.45 7.09 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -52.18 115.78 1.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 17.2 mt -62.05 144.37 55.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -137.94 161.28 37.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -159.13 170.3 22.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.565 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 2.9 t80 -100.6 135.26 20.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.642 0.734 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.565 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.9 Cg_endo -69.73 148.1 64.49 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.692 2.262 . . . . 0.0 112.365 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.085 179.904 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.909 0.385 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -41.69 -31.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.51 HD12 ' CE1' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -50.8 -55.94 14.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.894 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.41 ' CZ3' ' CE1' ' A' ' 76' ' ' PHE . 61.3 t-105 -53.9 -52.08 61.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -55.24 -42.24 73.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.0 -58.6 7.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.6 t -53.99 -62.18 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.7 p -45.34 -33.41 2.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.2 m -69.95 -46.43 65.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.073 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.0 p -67.72 -35.41 78.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -66.44 -53.93 29.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -41.94 -44.05 3.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.26 -61.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 90.6 m . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.855 0.36 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -133.97 126.42 30.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 76.3 p -59.8 158.43 10.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.24 91.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.47 -62.84 5.77 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -44.71 -49.53 10.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.57 -42.26 64.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 94.8 t -48.62 -43.77 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -69.88 -57.81 4.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.603 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 1.8 t-105 -47.75 -47.36 30.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.7 tp -70.65 -54.67 11.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.561 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 7.3 t80 -46.12 -63.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.425 ' N ' ' CD2' ' A' ' 51' ' ' TYR . 1.7 t70 -46.77 -44.63 19.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 tp -60.35 -49.27 78.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.479 HD21 ' CZ ' ' A' ' 60' ' ' PHE . 57.1 mt -59.5 -64.64 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.561 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 4.8 ptt180 -45.86 -32.95 2.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -57.13 -45.46 83.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -69.52 169.3 12.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.7 m -82.55 -42.6 18.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -40.14 -50.06 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.51 ' CE1' HD12 ' A' ' 13' ' ' LEU . 11.6 m-85 -90.81 -54.27 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.68 171.81 44.63 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 3.03 3.04 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.657 2.238 . . . . 0.0 112.34 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -80.06 -40.33 27.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.7 p -53.23 137.12 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 66' ' ' ARG . 14.2 t -119.57 163.32 17.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 65' ' ' THR . 59.7 mtt180 -36.69 -53.87 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -37.56 -59.8 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -57.94 -43.03 86.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.1 m -53.38 -52.82 58.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 86.9 mt -57.96 -45.72 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.06 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -56.06 -42.1 76.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.3 tp -64.89 -48.07 75.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 76' ' ' PHE . 6.0 tp -43.4 -49.41 7.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -39.07 -42.09 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -66.27 -42.08 88.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 73' ' ' LEU . 3.2 m-85 -53.56 -54.84 31.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 36.6 tp -56.51 -33.2 65.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -75.09 -39.11 60.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -75.58 5.81 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 67.13 32.25 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 83.8 t -81.27 -34.03 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 31.1 pt -140.74 132.32 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.423 ' CD ' ' HA2' ' A' ' 87' ' ' GLY . 13.5 tt0 -109.92 143.7 39.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -63.73 158.8 20.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.471 HG22 ' CD ' ' A' ' 86' ' ' LYS . 2.4 tt -49.28 -43.06 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.471 ' CD ' HG22 ' A' ' 85' ' ' ILE . 11.0 mptt -70.36 -49.45 49.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.423 ' HA2' ' CD ' ' A' ' 83' ' ' GLU . . . 133.24 45.98 0.11 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -107.9 120.43 42.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 110.862 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 5.9 p-90 -141.59 154.34 45.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 108.03 -17.71 34.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.3 m -89.83 166.0 13.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.789 0.328 . . . . 0.0 110.851 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -117.77 17.13 14.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -94.38 102.2 14.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.5 m -147.81 135.52 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -152.18 148.71 27.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.442 ' OD1' ' C ' ' A' ' 96' ' ' ASP . 16.5 t0 -52.12 101.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -152.08 177.31 10.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.97 -7.65 37.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -53.64 102.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.04 167.1 5.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -143.03 177.88 8.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -161.37 160.86 30.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.522 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 32.4 t80 -101.36 139.28 20.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.628 0.728 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 54.2 Cg_endo -69.76 -177.78 2.03 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.667 2.245 . . . . 0.0 112.333 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.82 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.6 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.865 0.364 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -46.68 -46.06 19.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.467 HD11 ' ND2' ' A' ' 59' ' ' ASN . 30.8 tp -52.93 -57.16 11.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -51.15 -56.03 14.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -55.02 -42.35 72.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -57.87 -49.11 77.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.2 t -60.71 -60.68 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.4 HG23 ' CE2' ' A' ' 76' ' ' PHE . 77.0 p -44.64 -44.66 9.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.9 m -54.83 -58.66 6.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 m -58.51 -42.4 87.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.417 ' O ' ' C ' ' A' ' 22' ' ' ARG . 5.0 t80 -54.42 -53.95 47.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.441 ' HD2' ' CE2' ' A' ' 103' ' ' PHE . 14.8 ttt180 -37.27 -58.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.94 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -72.74 -63.93 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.045 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.624 ' CA ' ' CZ2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.431 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.2 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.822 0.344 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -154.21 141.01 19.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.3 p -56.11 151.36 12.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.161 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.71 -44.28 82.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.12 -51.53 11.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -55.19 -44.18 75.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.82 0.343 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.28 -40.31 61.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 65.8 t -50.07 -50.8 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -69.55 -48.56 59.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.624 ' CZ2' ' CA ' ' A' ' 24' ' ' GLY . 1.2 t-105 -50.59 -57.15 8.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.4 tp -66.36 -45.79 78.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -48.06 -54.13 14.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -57.73 -38.31 75.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 tp -66.01 -42.97 89.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.3 mt -64.38 -65.54 0.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 26.3 ptt85 -44.54 -46.15 9.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.46 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 19.4 t-20 -45.12 -45.26 11.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.535 ' ND2' HD21 ' A' ' 59' ' ' ASN . 33.0 t-20 -70.23 155.4 40.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.5 p -72.4 -43.69 63.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.535 HD21 ' ND2' ' A' ' 57' ' ' ASN . 70.4 m-80 -37.41 -60.45 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -83.75 -50.71 7.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.71 175.0 37.28 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -0.27 6.67 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.347 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -74.11 -31.47 62.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 65' ' ' THR . 9.6 p -63.96 141.8 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.182 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.469 ' N ' HG23 ' A' ' 64' ' ' VAL . 9.0 t -117.46 163.38 16.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 69' ' ' THR . 24.0 mtm180 -43.47 -56.82 3.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 66' ' ' ARG . 3.7 mp0 -34.28 -53.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -60.49 -41.99 95.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 66' ' ' ARG . 23.3 m -54.46 -53.71 50.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.3 mt -54.42 -44.85 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -57.04 -46.91 82.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.7 tp -64.84 -45.45 86.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.0 tp -42.99 -40.7 3.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -51.03 -52.77 39.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 78' ' ' LYS . 0.3 OUTLIER -45.0 -59.42 2.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 75' ' ' LYS . 84.1 m-85 -37.59 -43.57 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.422 ' CD2' ' O ' ' A' ' 91' ' ' SER . 41.6 tp -70.25 -40.38 74.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' LYS . 5.9 pttp -60.17 -34.75 74.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -86.2 4.3 39.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.712 ' CE1' ' CD2' ' A' ' 89' ' ' TRP . 4.2 t-160 66.81 32.9 6.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.48 HG11 ' CE1' ' A' ' 103' ' ' PHE . 52.4 t -79.24 -33.88 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.109 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 30.4 pt -132.23 131.34 60.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -108.03 151.24 26.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.427 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 0.7 OUTLIER -68.87 165.55 19.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.2 tt -68.22 -21.54 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.438 ' HA ' ' CE ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -90.03 -46.46 8.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.844 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 136.4 47.64 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -116.94 118.19 31.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.339 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.712 ' CD2' ' CE1' ' A' ' 80' ' ' HIS . 26.5 p-90 -139.61 150.58 45.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 96.28 44.4 3.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.422 ' O ' ' CD2' ' A' ' 77' ' ' LEU . 23.2 m -146.49 162.69 37.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.902 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -116.26 17.75 15.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.403 ' C ' HG11 ' A' ' 94' ' ' VAL . 4.8 m120 -105.28 102.1 11.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.403 HG11 ' C ' ' A' ' 93' ' ' ASN . 26.9 m -147.77 120.66 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.073 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -105.99 176.9 5.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.11 16.3 3.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -53.57 178.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.19 15.61 2.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -66.41 124.91 24.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 83.6 mt -77.59 141.68 39.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -127.89 157.07 41.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -135.64 177.1 8.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.528 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 5.9 t80 -117.63 140.35 27.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.722 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.8 Cg_endo -69.79 160.57 49.22 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.647 2.231 . . . . 0.0 112.36 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.877 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 12' ' ' LYS . 90.0 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.895 0.379 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' THR . 2.6 tppp? -37.12 -56.47 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.412 ' C ' HD22 ' A' ' 13' ' ' LEU . 2.5 tt -46.92 -63.38 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.2 t-105 -46.68 -53.39 11.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -47.5 -50.97 22.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -49.46 -52.91 26.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.3 t -53.62 -58.4 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.156 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.7 p -53.9 -41.43 67.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.6 m -62.91 -62.92 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.1 m -53.72 -49.58 67.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -52.67 -47.54 67.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -41.38 -61.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -65.51 -63.85 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.518 ' HA3' ' CE2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.528 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 23.4 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.408 ' CE1' ' HA ' ' A' ' 102' ' ' ARG . 23.8 p90 -143.41 138.38 29.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.5 p -67.88 155.45 39.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.05 -46.92 63.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.121 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.88 -54.12 3.64 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -55.83 -41.86 74.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.65 -43.35 84.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.4 t -47.04 -46.15 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -67.07 -47.71 70.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.569 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 0.9 OUTLIER -56.37 -60.0 4.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.3 tp -59.63 -45.06 93.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -55.62 -49.33 73.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -24.0 63.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.493 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 8.1 tp -82.09 -32.43 30.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 77.4 mt -80.41 -52.57 7.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.434 ' CG ' ' N ' ' A' ' 56' ' ' ASN . 32.8 ptt85 -50.89 -49.5 59.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.497 ' OD1' ' C ' ' A' ' 56' ' ' ASN . 0.6 OUTLIER -60.06 -40.64 90.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.496 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 13.3 t30 -56.78 157.94 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 t -85.68 -45.61 11.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -43.77 -60.61 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -79.44 -47.03 16.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.39 174.23 45.67 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -16.43 37.75 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -56.77 -24.35 49.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.0 p -60.99 137.74 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.496 ' HG1' ' NE2' ' A' ' 68' ' ' GLN . 59.7 p -114.2 169.62 8.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.8 tpp85 -48.36 -57.16 6.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -42.14 -55.74 3.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.496 ' NE2' ' HG1' ' A' ' 65' ' ' THR . 0.5 OUTLIER -43.84 -44.55 6.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.1 m -54.86 -64.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.076 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.4 mp -40.84 -43.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.117 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -57.28 -57.48 12.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.3 tp -58.76 -45.54 89.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.3 tp -44.46 -40.54 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -51.45 -53.82 33.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -43.24 -56.6 3.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -39.32 -65.6 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.43 HD21 ' CG1' ' A' ' 94' ' ' VAL . 58.4 tp -55.65 -39.9 71.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -34.4 74.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -92.64 17.69 9.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.542 ' HB2' ' CE3' ' A' ' 89' ' ' TRP . 20.9 t-160 57.42 32.81 22.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 83.9 t -80.29 -34.81 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.121 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 16.4 pt -137.87 127.37 34.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.421 ' CD ' ' HA2' ' A' ' 87' ' ' GLY . 22.6 pt-20 -103.83 156.09 18.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.03 169.86 16.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 86' ' ' LYS . 5.3 tt -43.14 -37.16 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.469 ' N ' HG23 ' A' ' 85' ' ' ILE . 1.3 mptp? -70.4 -49.63 46.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.421 ' HA2' ' CD ' ' A' ' 83' ' ' GLU . . . 120.72 32.42 1.11 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -107.04 144.34 33.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.542 ' CE3' ' HB2' ' A' ' 80' ' ' HIS . 66.0 p-90 -135.39 164.0 28.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 108.18 50.0 0.79 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.1 m -152.25 148.12 27.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.817 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -113.62 16.68 18.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -103.55 102.67 12.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.43 ' CG1' HD21 ' A' ' 77' ' ' LEU . 34.8 m -153.95 116.79 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -109.95 177.65 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -82.56 14.88 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -77.31 178.04 7.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.42 106.56 3.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -152.98 112.72 3.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 99.4 mt -62.76 147.22 50.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -147.53 171.41 15.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 83' ' ' GLU . 6.8 ptt180 -161.28 167.56 25.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.552 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 7.6 t80 -101.42 139.66 20.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.679 0.752 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.552 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.9 Cg_endo -69.76 -172.39 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.693 2.262 . . . . 0.0 112.323 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.878 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.2 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.876 0.369 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -50.06 -49.67 50.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.467 HD22 ' ND2' ' A' ' 59' ' ' ASN . 4.1 mm? -69.26 -58.87 3.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.502 ' O ' ' CG2' ' A' ' 18' ' ' THR . 43.4 t-105 -41.34 -46.99 3.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -63.34 -36.88 85.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 13' ' ' LEU . 44.0 mt-10 -71.94 -58.3 3.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.416 ' CG2' HD22 ' A' ' 54' ' ' LEU . 2.7 p -54.96 -39.7 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.159 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 14' ' ' TRP . 41.2 p -63.23 -46.06 88.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.3 m -59.92 -50.57 73.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m -61.43 -59.9 4.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.431 ' CD2' HD11 ' A' ' 50' ' ' LEU . 19.9 t80 -49.91 -48.58 51.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.421 ' HD2' ' C ' ' A' ' 22' ' ' ARG . 2.9 tmm_? -44.99 -54.95 5.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.479 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -72.06 -64.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.437 ' SG ' ' CG1' ' A' ' 85' ' ' ILE . 1.8 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.825 0.345 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 101' ' ' PHE . 4.9 p90 -153.63 158.82 41.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.4 p -80.57 151.19 29.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.125 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 44' ' ' GLY . . . -63.32 -53.9 45.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 43' ' ' ALA . . . -35.72 -65.83 0.44 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.12 -47.1 4.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.361 . . . . 0.0 110.927 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -50.63 -48.16 58.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.067 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.0 t -40.99 -49.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.12 -50.39 68.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -52.67 -53.96 40.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.431 HD11 ' CD2' ' A' ' 21' ' ' PHE . 14.3 tp -65.77 -59.09 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.424 ' CZ ' ' HD2' ' A' ' 55' ' ' ARG . 16.5 t80 -39.7 -61.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -48.55 -48.25 38.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.0 tp -59.36 -43.98 92.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.416 HD22 ' CG2' ' A' ' 17' ' ' VAL . 41.1 mt -61.51 -60.36 3.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 13.3 ptm180 -52.03 -44.14 64.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.444 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 9.1 t-20 -45.39 -42.08 9.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -74.72 148.96 40.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 59' ' ' ASN . 44.4 m -66.32 -50.17 64.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.467 ' ND2' HD22 ' A' ' 13' ' ' LEU . 10.1 t-20 -33.84 -60.83 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -79.18 -49.08 13.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.95 175.93 33.22 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.506 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -16.09 37.37 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -55.7 -38.65 69.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.6 p -56.87 132.63 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.3 t -109.38 162.36 14.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.437 ' CZ ' HD13 ' A' ' 70' ' ' ILE . 11.7 ttt-85 -41.43 -52.42 3.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -40.29 -62.69 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -41.0 -40.73 1.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.5 m -55.34 -65.15 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.437 HD13 ' CZ ' ' A' ' 66' ' ' ARG . 5.2 mp -39.01 -42.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -66.77 -45.82 77.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.7 tp -63.87 -54.15 39.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.4 tp -39.68 -45.14 1.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -43.01 -51.86 5.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -46.42 -56.29 6.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -40.28 -60.75 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.5 tp -55.8 -36.05 66.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -63.36 -47.22 83.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -76.19 7.76 3.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 67.87 32.04 5.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.9 t -77.59 -29.32 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.419 HG22 ' CD2' ' A' ' 103' ' ' PHE . 23.7 pt -148.45 128.67 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -101.05 170.69 8.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -78.31 154.28 31.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.471 HD11 ' CD1' ' A' ' 100' ' ' LEU . 12.6 tt -38.72 -34.76 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -87.68 -42.56 12.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 130.26 50.77 0.11 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 88' ' ' ARG . 16.3 mtp-105 -110.94 138.18 47.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.759 0.314 . . . . 0.0 110.891 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 11.3 p-90 -144.03 170.48 15.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 73.04 41.48 47.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.515 ' O ' ' CG ' ' A' ' 92' ' ' GLU . 52.9 m -117.96 -27.55 6.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.84 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 91' ' ' SER . 8.4 pt-20 48.82 32.05 3.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -130.17 102.59 6.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.497 HG12 ' CZ ' ' A' ' 101' ' ' PHE . 9.1 m -145.73 124.49 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.02 175.79 5.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -81.99 12.47 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -82.42 178.11 8.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.36 102.76 1.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -149.16 107.56 3.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.471 ' CD1' HD11 ' A' ' 85' ' ' ILE . 77.2 mt -60.64 153.68 23.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.497 ' CZ ' HG12 ' A' ' 94' ' ' VAL . 29.2 m-85 -158.03 157.46 32.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -148.98 149.16 30.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.575 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 2.6 t80 -84.02 134.21 44.24 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.652 0.739 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.575 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.8 Cg_endo -69.78 178.86 4.16 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.706 2.271 . . . . 0.0 112.325 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.897 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.1 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.865 0.364 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -50.15 -61.81 1.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.1 mt -43.7 -63.97 0.74 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.452 ' CH2' ' CD1' ' A' ' 76' ' ' PHE . 62.3 t-105 -45.95 -44.63 14.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -64.76 -30.2 71.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -75.75 -61.91 1.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.2 p -52.19 -42.21 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.5 p -63.44 -46.29 86.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.5 m -63.45 -46.09 87.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.0 m -62.66 -45.28 93.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' ARG . 8.0 t80 -61.44 -59.8 4.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -35.05 -60.61 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -68.82 -33.91 74.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.086 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.556 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 83.3 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.893 0.378 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -153.15 158.0 41.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.1 p -76.3 145.8 39.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 44' ' ' GLY . . . -59.95 -57.9 10.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.084 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 43' ' ' ALA . . . -34.03 -64.83 0.35 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -44.83 -45.96 10.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.88 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.57 -37.77 65.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.061 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 94.7 t -52.96 -48.89 51.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -65.7 -49.43 68.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.556 ' CZ2' ' HA3' ' A' ' 24' ' ' GLY . 1.1 t-105 -56.76 -62.82 1.47 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.1 tp -51.24 -42.07 60.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -62.12 -48.55 79.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.55 -38.58 69.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.2 tp -68.6 -43.88 75.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.8 mt -60.77 -54.65 42.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -57.8 -41.42 82.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -57.05 -41.33 78.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -56.95 174.16 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 m -97.73 -48.34 5.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -46.66 -56.91 5.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -75.94 -39.91 55.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.63 175.06 8.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -7.15 20.31 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.651 2.234 . . . . 0.0 112.344 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -64.84 -36.53 84.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.7 p -55.97 146.0 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 66' ' ' ARG . 15.2 t -130.85 166.2 21.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 66' ' ' ARG . 13.9 ttp-105 -37.06 -47.96 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -39.0 -59.57 0.96 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -58.25 -40.45 81.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 49.1 m -56.76 -57.51 12.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 89.6 mt -55.39 -46.52 78.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.123 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -56.25 -42.72 77.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.453 ' HG ' ' CE2' ' A' ' 76' ' ' PHE . 49.9 tp -66.31 -46.5 76.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.1 tp -44.82 -41.76 7.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.448 ' HG3' ' CG2' ' A' ' 94' ' ' VAL . 47.7 mtt180 -59.3 -43.0 92.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -60.3 -58.38 8.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.453 ' CE2' ' HG ' ' A' ' 72' ' ' LEU . 14.4 m-85 -38.46 -59.77 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.5 tp -49.06 -42.39 38.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.421 ' C ' ' HD2' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -63.17 -41.0 99.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.819 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -76.75 7.58 4.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.636 ' CE1' ' CZ3' ' A' ' 89' ' ' TRP . 3.2 t-160 66.27 32.29 7.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.459 ' O ' ' CE1' ' A' ' 103' ' ' PHE . 96.3 t -82.67 -31.16 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.9 pt -138.25 124.2 25.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -101.7 138.74 38.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.21 168.39 10.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.6 tp -59.26 -32.53 48.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -94.77 -39.71 10.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 121.85 52.1 0.23 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -94.03 17.42 12.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.751 0.31 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.636 ' CZ3' ' CE1' ' A' ' 80' ' ' HIS . 36.5 p-90 -57.76 148.02 26.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 113.04 -18.23 21.68 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.3 m -106.26 177.14 4.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 0.0 110.856 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -116.88 15.97 15.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -83.66 102.02 11.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.448 ' CG2' ' HG3' ' A' ' 74' ' ' ARG . 24.2 m -151.85 137.03 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.156 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -129.35 165.42 21.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -81.61 15.8 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.469 ' ND2' ' HG3' ' A' ' 99' ' ' GLN . 1.6 p30 -82.74 178.07 8.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.6 104.62 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.469 ' HG3' ' ND2' ' A' ' 97' ' ' ASN . 29.2 mt-30 -150.0 114.95 5.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 66.0 mt -69.24 136.13 51.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -130.04 174.21 9.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -154.58 174.87 14.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.459 ' CE1' ' O ' ' A' ' 81' ' ' VAL . 2.7 t80 -103.35 136.7 19.18 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.659 0.742 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.458 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.9 Cg_endo -69.74 171.9 13.59 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.83 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.7 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.833 0.349 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -57.56 -47.49 81.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.445 HD13 ' ND2' ' A' ' 59' ' ' ASN . 3.6 tt -58.01 -60.83 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.412 ' CH2' ' CD1' ' A' ' 76' ' ' PHE . 49.9 t-105 -54.84 -57.65 10.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -50.88 -34.42 28.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -67.19 -47.39 71.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 39.8 t -64.36 -34.69 70.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.404 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 41.5 p -76.75 -47.31 22.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.85 -35.98 75.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.157 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -79.36 -59.44 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' ' 21' ' ' PHE . 8.4 t80 -54.26 -44.88 72.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 22' ' ' ARG . 1.9 tmm_? -52.85 -48.87 66.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.12 -64.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.572 ' HA2' ' CZ2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.46 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 97.7 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.827 0.346 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -138.43 125.99 22.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.7 p -62.67 164.08 8.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.01 -47.11 78.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.084 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.91 -61.48 7.3 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.471 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -51.41 -49.78 60.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.876 0.37 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.27 -48.39 62.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.3 t -39.91 -44.95 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -71.35 -46.13 61.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.584 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 2.1 t-105 -54.69 -46.05 74.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.8 tp -72.13 -53.15 13.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.495 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 28.6 t80 -47.09 -58.26 4.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.435 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 1.8 t0 -48.07 -42.76 29.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.895 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 tp -66.53 -45.44 79.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 65.6 mt -60.27 -56.97 15.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.495 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 25.5 ptt180 -54.24 -38.38 65.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.459 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 2.8 t-20 -55.97 -38.98 71.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -69.35 170.6 10.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.3 t -86.78 -49.4 7.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.806 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.445 ' ND2' HD13 ' A' ' 13' ' ' LEU . 86.4 m-20 -40.68 -54.22 2.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -84.32 -40.84 17.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.99 173.92 1.72 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.533 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 3.02 3.0 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.704 2.269 . . . . 0.0 112.352 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -78.76 -35.67 44.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.75 138.73 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.2 p -107.12 171.56 7.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -52.99 -44.28 67.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -46.73 -55.36 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -51.91 -43.4 63.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 70.6 m -53.64 -52.87 58.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 74.8 mt -54.58 -44.5 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -52.08 -48.87 64.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.435 ' HG ' ' CE2' ' A' ' 76' ' ' PHE . 31.6 tp -60.18 -48.6 81.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.2 tp -42.79 -43.58 4.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -54.73 -54.69 38.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -49.41 -60.06 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.435 ' CE2' ' HG ' ' A' ' 72' ' ' LEU . 22.0 m-85 -41.11 -61.86 0.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.413 HD23 ' CG1' ' A' ' 94' ' ' VAL . 14.8 tp -51.47 -39.77 58.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -66.1 -38.99 89.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -80.91 13.07 2.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 80' ' ' HIS . 21.1 t-160 63.0 32.1 15.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.411 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 78.2 t -83.96 -30.34 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 22.1 pt -137.92 127.13 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -103.87 138.75 40.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -75.73 154.37 36.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 6.2 tt -54.98 -23.66 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -95.1 -42.01 8.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 117.81 52.26 0.32 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -105.0 17.69 23.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.33 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 19.6 p-90 -58.26 149.79 23.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 115.32 -38.81 2.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.483 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.7 m -82.05 171.74 14.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.841 0.353 . . . . 0.0 110.844 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -116.59 17.14 15.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -96.3 106.02 18.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.413 ' CG1' HD23 ' A' ' 77' ' ' LEU . 34.5 m -141.05 123.18 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -107.57 177.18 4.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.93 13.98 2.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -57.47 172.77 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -86.96 17.3 4.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.445 ' O ' ' CD1' ' A' ' 101' ' ' PHE . 55.5 mt-30 -58.41 108.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.6 mt -56.3 146.75 22.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.445 ' CD1' ' O ' ' A' ' 99' ' ' GLN . 46.8 m-85 -131.14 164.25 25.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -157.8 132.78 8.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.567 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 3.0 t80 -73.94 135.67 77.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.6 0.714 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.567 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.7 Cg_endo -69.78 171.97 13.5 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.896 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.7 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.871 0.367 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.4 tptt -55.9 -60.75 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.3 tp -47.23 -49.37 23.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.46 ' CH2' ' CD1' ' A' ' 76' ' ' PHE . 30.9 t-105 -57.91 -46.19 85.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -59.06 -48.03 83.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -55.82 -49.86 72.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 78.2 t -61.5 -67.76 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.9 p -38.16 -45.85 0.99 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.3 m -61.0 -53.55 55.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.7 m -56.97 -58.85 6.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 21' ' ' PHE . 8.3 t80 -46.8 -52.4 14.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.555 ' HD2' ' CE2' ' A' ' 103' ' ' PHE . 9.2 ttt-85 -43.43 -64.16 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -71.99 -63.82 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.567 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 6.4 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.848 0.356 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 101' ' ' PHE . 9.5 p90 -108.79 155.36 20.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.4 p -85.45 166.99 15.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.122 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.65 -59.4 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.35 -58.58 1.65 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.22 -54.45 20.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.36 . . . . 0.0 110.913 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -47.87 -46.77 31.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.07 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.1 t -45.01 -41.49 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -68.86 -60.5 2.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.589 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 0.8 OUTLIER -41.11 -59.22 1.55 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.81 -50.78 69.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.499 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 38.9 t80 -43.66 -46.71 7.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -63.56 -46.65 84.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.1 tp -55.97 -35.83 67.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.401 HD21 ' CE2' ' A' ' 60' ' ' PHE . 46.4 mt -71.94 -63.69 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.499 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 41.9 ptt85 -51.89 -43.3 63.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.65 -43.26 17.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -73.21 172.3 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.2 t -86.46 -46.8 9.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -37.47 -54.83 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.401 ' CE2' HD21 ' A' ' 54' ' ' LEU . 31.5 m-85 -85.14 -55.83 3.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.57 172.79 41.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 2.92 3.08 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -80.12 -27.34 39.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.4 p -61.72 137.51 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.105 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.4 p -111.16 166.23 11.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.144 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -50.34 -48.18 55.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -43.33 -54.12 4.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -60.82 -37.24 81.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 98.5 m -59.98 -54.16 49.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 53.6 mt -55.85 -37.97 49.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -54.29 -46.06 72.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.58 -50.17 72.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.953 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 tp -41.03 -41.36 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -52.82 -47.67 67.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 78' ' ' LYS . 20.2 mttp -57.1 -60.98 2.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.46 ' CD1' ' CH2' ' A' ' 14' ' ' TRP . 20.2 m-85 -38.79 -58.48 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.409 HD23 ' CG1' ' A' ' 94' ' ' VAL . 67.7 tp -51.52 -36.41 44.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 75' ' ' LYS . 16.6 mtmt -72.17 -37.88 69.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -79.07 7.94 6.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.679 ' CE1' ' CE2' ' A' ' 89' ' ' TRP . 4.8 t-160 64.25 32.19 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.81 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.499 ' O ' ' CE1' ' A' ' 103' ' ' PHE . 92.8 t -82.22 -34.38 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.5 pt -133.49 135.02 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -115.33 155.13 27.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 88' ' ' ARG . 2.9 p-10 -90.46 167.57 12.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.4 tt -52.93 -37.23 25.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.469 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -70.5 -50.11 41.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 121.29 29.96 1.38 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.405 ' O ' ' OD1' ' A' ' 84' ' ' ASP . 55.2 mtm180 -95.07 102.09 13.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.341 . . . . 0.0 110.871 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.679 ' CE2' ' CE1' ' A' ' 80' ' ' HIS . 8.9 p-90 -120.79 118.59 30.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 137.14 35.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.14 166.75 23.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 110.839 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.01 14.6 14.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -96.91 102.35 14.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.409 ' CG1' HD23 ' A' ' 77' ' ' LEU . 15.6 m -141.92 112.29 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -99.29 163.38 12.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 30.9 p30 -80.79 -0.51 39.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -65.33 175.07 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.489 ' CG ' ' O ' ' A' ' 98' ' ' ASN . 0.4 OUTLIER -66.09 107.74 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -151.15 108.95 3.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 66.9 mt -56.13 159.71 3.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 41' ' ' PHE . 17.8 m-85 -152.35 172.59 16.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -165.22 163.12 20.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.555 ' CE2' ' HD2' ' A' ' 22' ' ' ARG . 4.6 t80 -107.68 140.58 21.7 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.549 ' HD2' ' CD2' ' A' ' 103' ' ' PHE . 53.3 Cg_endo -69.78 149.6 67.0 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.624 2.216 . . . . 0.0 112.361 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.879 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.444 HG22 ' ND2' ' A' ' 15' ' ' ASN . 73.4 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.834 0.35 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -43.92 -47.47 8.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.6 tp -56.21 -59.45 4.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.572 ' CD1' HG21 ' A' ' 18' ' ' THR . 9.7 t-105 -52.91 -46.12 67.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.444 ' ND2' HG22 ' A' ' 11' ' ' THR . 31.1 m-20 -61.3 -39.2 89.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -65.58 -55.15 19.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.92 -42.42 94.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.572 HG21 ' CD1' ' A' ' 14' ' ' TRP . 58.9 p -63.14 -46.52 86.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.3 m -59.53 -50.59 73.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 m -64.99 -58.27 6.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.435 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 37.8 t80 -44.27 -48.82 9.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.6 -64.92 0.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -68.78 -63.95 0.96 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.506 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.503 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.7 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.837 0.351 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -134.8 136.69 42.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.463 ' N ' HD22 ' A' ' 100' ' ' LEU . 22.1 p -57.29 145.49 31.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.56 77.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.8 -49.47 3.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -59.57 -43.03 93.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.34 . . . . 0.0 110.823 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.85 98.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.5 t -47.82 -42.1 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -68.25 -56.35 8.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.546 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 1.3 t-105 -44.09 -54.34 5.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 51' ' ' TYR . 36.7 tp -66.36 -60.94 2.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 50' ' ' LEU . 28.2 t80 -36.45 -47.68 0.63 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -58.15 -48.17 81.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.546 HD11 ' CH2' ' A' ' 49' ' ' TRP . 3.5 tp -62.94 -42.55 99.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 70.7 mt -61.24 -57.66 11.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 26.2 ptt180 -53.27 -40.01 64.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.432 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -58.25 -52.21 66.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -59.14 162.95 4.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 t -83.15 -42.18 17.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -39.0 -64.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -80.07 -46.3 16.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.61 170.1 24.09 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -1.87 9.23 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.682 2.254 . . . . 0.0 112.312 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -85.94 17.96 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.43 HG23 ' N ' ' A' ' 65' ' ' THR . 8.2 p -92.07 143.12 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 66' ' ' ARG . 13.9 t -117.33 150.01 39.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 65' ' ' THR . 32.1 mtm180 -34.88 -43.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -51.78 -56.27 14.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -53.35 -45.3 69.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.8 m -56.69 -54.34 47.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.439 HG21 ' NH1' ' A' ' 74' ' ' ARG . 58.8 mt -53.98 -41.15 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -57.61 -45.31 85.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.9 tp -64.26 -49.65 71.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.6 tp -47.37 -42.8 22.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.439 ' NH1' HG21 ' A' ' 70' ' ' ILE . 67.5 mtt85 -49.87 -50.87 44.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -52.24 -58.02 7.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.535 ' CD1' ' CH2' ' A' ' 14' ' ' TRP . 20.7 m-85 -43.39 -55.69 3.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.5 tp -56.38 -35.68 67.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.457 ' HD3' ' CG ' ' A' ' 92' ' ' GLU . 34.3 ttpt -72.1 -36.8 69.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -81.91 17.26 1.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.45 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 23.6 t-160 61.17 32.1 19.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.9 t -84.25 -33.18 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.3 pt -140.88 117.44 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -90.25 149.52 22.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -86.07 162.1 18.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.3 tt -49.03 -30.88 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -103.92 -35.89 7.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 117.99 68.72 0.36 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.8 mtm105 -108.5 17.69 21.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.779 0.323 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 23.4 p-90 -57.97 104.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 120.18 34.43 0.96 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.499 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.6 m -116.61 -16.63 10.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 110.836 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.457 ' CG ' ' HD3' ' A' ' 78' ' ' LYS . 35.7 mp0 53.45 41.86 32.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -145.73 102.43 3.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 28.7 m -138.09 146.49 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.425 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 16.7 m-20 -143.24 177.99 8.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -78.59 10.58 3.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.425 ' ND2' ' HB2' ' A' ' 95' ' ' ASP . 1.9 p30 -56.81 178.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.62 16.55 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -61.94 117.4 5.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 42' ' ' THR . 12.0 mt -79.07 138.76 38.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -124.3 168.25 13.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.1 ptt85 -152.45 169.96 21.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.514 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 9.3 t80 -111.53 139.96 22.62 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.664 0.745 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.514 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.4 Cg_endo -69.8 149.31 66.45 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.279 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.845 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.8 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.872 0.368 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -63.04 -50.97 68.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.8 mt -48.63 -53.5 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 30.6 t-105 -57.82 -41.79 82.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -63.16 -37.0 85.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -71.25 -61.76 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.6 p -50.45 -34.49 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.6 p -75.52 -53.38 8.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.407 ' CG2' ' N ' ' A' ' 20' ' ' SER . 0.9 OUTLIER -57.8 -37.71 74.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.407 ' N ' ' CG2' ' A' ' 19' ' ' THR . 26.8 m -72.01 -56.81 4.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.427 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 18.9 t80 -44.19 -58.82 2.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.558 ' HG3' ' CZ ' ' A' ' 103' ' ' PHE . 4.6 ttm180 -44.26 -43.57 7.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -66.6 -32.79 74.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.515 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.854 0.359 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -125.16 130.58 52.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 70.0 p -70.43 137.09 50.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.156 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.74 -48.25 2.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.26 -61.38 4.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -48.14 -45.21 32.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.22 81.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.402 ' O ' ' CB ' ' A' ' 51' ' ' TYR . 86.2 t -40.57 -44.98 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -71.64 -61.03 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.495 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 1.6 t-105 -43.95 -57.63 3.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.26 -44.45 96.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.402 ' CB ' ' O ' ' A' ' 47' ' ' VAL . 15.9 t80 -53.71 -66.9 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -42.16 -42.63 3.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.6 tp -65.28 -37.68 87.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.427 HD21 ' CE2' ' A' ' 60' ' ' PHE . 84.5 mt -66.67 -60.62 2.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 7.6 ptm180 -50.41 -36.64 33.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.447 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -50.38 -39.34 46.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -65.17 176.99 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.4 m -92.03 -40.89 10.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -57.77 -48.52 79.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.427 ' CE2' HD21 ' A' ' 54' ' ' LEU . 63.9 m-85 -80.24 -42.68 22.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 52.44 -178.87 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -4.69 14.53 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.712 2.274 . . . . 0.0 112.282 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.05 -39.89 72.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.7 p -52.63 147.51 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 66' ' ' ARG . 14.2 t -135.8 163.36 30.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 65' ' ' THR . 1.1 mpp_? -34.33 -51.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -40.31 -52.99 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -66.02 -45.44 81.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.1 m -52.78 -52.48 56.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.193 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 18.7 mt -57.81 -39.76 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -59.85 -41.33 91.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.0 tp -74.46 -39.99 62.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 tp -51.73 -34.02 37.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -61.35 -44.36 97.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -53.26 -48.9 67.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -48.87 -63.59 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.6 tp -49.63 -33.58 15.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -73.46 -38.78 65.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -77.69 6.55 7.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.465 ' CD2' ' CG ' ' A' ' 89' ' ' TRP . 15.8 t-160 67.36 32.83 5.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.58 ' O ' ' CE1' ' A' ' 103' ' ' PHE . 83.3 t -85.89 -29.65 6.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 21.8 pt -141.8 126.65 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.471 ' CG ' ' HG3' ' A' ' 102' ' ' ARG . 13.6 pt-20 -103.53 167.92 9.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -90.6 162.99 14.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.5 tp -41.7 -32.84 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -89.83 -41.16 11.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 128.17 38.87 0.36 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.467 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -94.34 117.41 30.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.465 ' CG ' ' CD2' ' A' ' 80' ' ' HIS . 57.9 p-90 -145.29 158.76 43.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 110.19 -35.48 4.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 90.1 p -79.57 169.43 18.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.352 . . . . 0.0 110.837 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -117.29 17.82 14.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -90.68 104.93 17.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.5 m -152.05 146.64 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -139.62 178.05 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -80.31 13.14 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -58.4 178.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.88 17.93 3.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -59.67 125.92 25.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 43.7 mt -71.93 151.26 43.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -144.0 170.09 16.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.471 ' HG3' ' CG ' ' A' ' 83' ' ' GLU . 4.6 ptm85 -162.32 177.13 9.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.58 ' CE1' ' O ' ' A' ' 81' ' ' VAL . 2.7 t80 -99.22 140.81 21.95 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.693 0.759 . . . . 0.0 110.807 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.567 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 54.0 Cg_endo -69.73 174.29 9.7 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.657 2.238 . . . . 0.0 112.353 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.855 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.9 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.831 0.348 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -51.57 -58.1 7.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.569 HD21 ' CZ ' ' A' ' 60' ' ' PHE . 20.0 tp -53.4 -60.49 3.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.578 ' CH2' ' CD1' ' A' ' 76' ' ' PHE . 48.2 t-105 -48.87 -44.5 39.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -62.61 -33.46 75.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -75.44 -60.81 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 p -52.04 -41.63 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.3 p -64.84 -52.52 56.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.3 m -58.2 -52.16 66.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.6 m -60.13 -50.17 74.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -54.65 -57.65 10.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 103' ' ' PHE . 1.1 ttm180 -37.97 -63.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -64.74 -33.13 75.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.557 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 98.8 m . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.796 0.331 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -156.81 143.05 18.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.423 ' CG2' HD21 ' A' ' 100' ' ' LEU . 64.1 p -62.05 142.65 57.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.123 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' GLY . . . -66.87 -46.6 74.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' ALA . . . -35.49 -59.0 0.85 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.519 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -57.61 -41.25 80.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.74 -45.1 78.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.9 t -48.05 -49.45 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -65.4 -46.87 78.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.585 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 1.2 t-105 -54.07 -55.19 29.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.3 tp -63.21 -50.58 69.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -49.24 -62.43 1.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -46.2 -45.43 16.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.443 HD12 ' CH2' ' A' ' 49' ' ' TRP . 8.3 tp -61.2 -42.7 99.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.54 HD22 ' CE2' ' A' ' 60' ' ' PHE . 58.9 mt -63.34 -63.42 1.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 4.7 ptm180 -50.0 -36.83 30.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.456 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 23.7 t-20 -51.99 -34.94 44.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.403 ' ND2' ' HB2' ' A' ' 59' ' ' ASN . 62.2 t30 -78.89 172.76 13.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.6 m -84.51 -49.73 8.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.812 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.403 ' HB2' ' ND2' ' A' ' 57' ' ' ASN . 11.8 m-20 -42.0 -59.86 1.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.569 ' CZ ' HD21 ' A' ' 13' ' ' LEU . 84.0 m-85 -75.06 -37.96 61.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.818 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 55.49 177.35 0.22 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -12.25 32.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.389 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.75 -37.22 86.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.7 p -55.03 131.68 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.16 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.7 t -115.4 163.84 15.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 67' ' ' GLN . 12.1 ttm180 -40.57 -53.47 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' ARG . 36.8 mt-30 -34.33 -62.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -54.66 -42.75 71.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 66' ' ' ARG . 41.1 m -55.34 -51.21 67.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.7 mt -56.73 -44.11 80.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -60.93 -44.95 96.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 47.2 tp -62.22 -55.37 29.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.7 tp -38.99 -37.76 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -55.3 -57.21 12.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -41.07 -57.92 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.578 ' CD1' ' CH2' ' A' ' 14' ' ' TRP . 19.3 m-85 -44.33 -52.31 7.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.9 tp -54.51 -40.29 68.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -74.61 -30.71 61.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -81.44 14.83 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 58.72 32.15 21.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.597 ' O ' ' CE1' ' A' ' 103' ' ' PHE . 61.7 t -88.32 -33.39 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.7 pt -139.63 119.58 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -95.22 151.92 18.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.15 159.35 24.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.415 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.9 tt -42.78 -26.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.415 ' N ' HG22 ' A' ' 85' ' ' ILE . 0.9 OUTLIER -90.03 -44.7 9.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.877 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 127.11 46.29 0.2 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.465 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -105.12 120.15 40.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.758 0.314 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 32.2 p-90 -118.01 16.48 14.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -146.99 52.92 0.55 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.516 ' O ' ' CG ' ' A' ' 92' ' ' GLU . 1.1 t -111.3 -28.85 8.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 91' ' ' SER . 7.4 pt-20 48.76 32.05 3.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -136.55 105.42 5.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 17.4 m -142.99 161.43 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -163.9 177.99 8.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -74.5 5.29 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -54.55 178.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.84 16.07 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -69.71 120.62 15.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.423 HD21 ' CG2' ' A' ' 42' ' ' THR . 34.2 mt -75.41 165.48 25.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -156.13 163.11 40.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -149.85 172.77 14.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 81' ' ' VAL . 4.4 t80 -108.9 140.67 22.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.644 0.735 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.6 Cg_endo -69.69 149.79 67.79 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.819 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.5 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.854 0.359 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -59.24 -56.27 24.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.513 HD22 ' CE1' ' A' ' 60' ' ' PHE . 58.9 tp -60.6 -58.27 9.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 42.7 t-105 -46.25 -44.08 16.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -67.21 -38.13 84.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.69 -55.16 18.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.4 p -57.68 -42.69 82.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.166 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.0 p -64.3 -52.48 58.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.9 m -45.95 -52.64 11.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 24' ' ' GLY . 0.6 OUTLIER -60.15 -42.92 95.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.831 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.443 ' CE1' ' CG2' ' A' ' 82' ' ' ILE . 37.2 t80 -50.79 -50.09 56.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.411 ' HD2' ' C ' ' A' ' 22' ' ' ARG . 5.2 tmm_? -46.9 -60.2 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.04 -63.65 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.06 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.527 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.7 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.874 0.369 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -130.71 137.33 49.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.5 p -70.03 142.11 52.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.97 -43.76 50.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -45.71 -54.16 8.02 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -54.6 -45.89 73.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.346 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -50.51 -35.82 31.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 99.4 t -54.41 -52.92 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -65.25 -50.34 66.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.618 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 1.5 t-105 -52.49 -47.64 66.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.3 tp -71.74 -40.11 69.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 51' ' ' TYR . 2.1 t80 -51.75 -53.12 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.977 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.466 ' HA ' ' CG ' ' A' ' 55' ' ' ARG . 2.7 t70 -55.65 -41.86 74.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.429 HD12 ' CH2' ' A' ' 49' ' ' TRP . 6.2 tp -60.78 -49.01 79.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.432 HD13 ' CD2' ' A' ' 72' ' ' LEU . 21.7 mt -70.3 -62.64 1.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.508 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -42.61 -39.68 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -65.71 -40.04 91.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -64.21 160.22 18.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.7 t -86.23 -44.88 11.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -41.79 -53.0 3.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.513 ' CE1' HD22 ' A' ' 13' ' ' LEU . 92.5 m-85 -86.71 -42.69 13.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.14 168.67 40.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -13.92 35.23 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.721 2.281 . . . . 0.0 112.31 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -60.51 -20.92 61.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.1 p -54.7 133.99 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.4 p -123.0 166.16 15.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' A' ' 66' ' ' ARG . 17.0 ttp-105 -38.7 -53.96 1.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -48.77 -50.88 31.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.08 -47.55 85.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.4 m -53.22 -46.02 68.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.1 mt -64.97 -44.58 96.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -52.51 -52.94 52.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.432 ' CD2' HD13 ' A' ' 54' ' ' LEU . 61.3 tp -60.48 -42.55 96.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.2 tp -46.17 -43.65 15.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 -45.18 -45.2 11.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -56.3 -50.34 71.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -45.51 -63.12 1.03 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.462 HD23 ' CG1' ' A' ' 94' ' ' VAL . 25.1 tp -53.89 -35.44 61.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -66.32 -41.45 89.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -81.35 15.49 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.527 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 20.6 t-160 57.74 32.37 21.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.1 t -81.25 -34.17 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.443 ' CG2' ' CE1' ' A' ' 21' ' ' PHE . 20.0 pt -138.43 123.58 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -101.08 149.9 23.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.29 170.75 15.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.2 tp -59.25 -33.92 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.484 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 1.1 mppt? -85.93 -43.87 12.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 126.23 41.47 0.33 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.526 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -82.61 17.96 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.755 0.312 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -52.13 158.88 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.87 34.17 43.75 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 38.1 m -142.56 177.96 7.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.353 . . . . 0.0 110.877 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -117.53 -28.57 6.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.426 ' C ' HG13 ' A' ' 94' ' ' VAL . 54.9 t-20 -52.08 103.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.462 ' CG1' HD23 ' A' ' 77' ' ' LEU . 35.6 m -144.46 116.42 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -111.09 168.15 9.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.85 15.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -63.36 178.59 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -80.78 15.65 1.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -56.34 114.56 2.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 72.6 mt -63.87 142.38 58.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -131.34 175.85 8.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.2 ptm85 -165.56 169.67 15.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.513 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 30.0 t80 -112.14 139.0 21.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.513 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.5 Cg_endo -69.82 -173.57 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.252 . . . . 0.0 112.322 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 179.906 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.1 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.814 0.34 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.1 tttt -50.07 -48.56 53.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 mt -73.74 -52.92 11.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 64.3 t-105 -45.24 -47.74 12.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -66.24 -58.66 4.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -44.69 -48.63 10.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.3 t -60.8 -58.99 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.4 p -48.88 -42.14 35.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.178 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.9 m -57.08 -52.08 66.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.0 m -63.96 -60.5 3.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -50.76 -56.17 13.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -46.84 -46.01 20.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -63.87 -42.3 97.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.441 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.471 ' CB ' ' O ' ' A' ' 101' ' ' PHE . 64.2 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.859 0.361 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -118.54 127.7 53.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 81.7 p -67.51 133.19 49.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.23 -50.72 6.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.48 -53.08 13.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.436 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -56.1 -44.34 78.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.855 0.36 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.06 -37.6 72.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.4 ' O ' ' CB ' ' A' ' 51' ' ' TYR . 94.3 t -51.29 -44.79 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -75.44 -48.8 21.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.441 ' CZ2' ' HA3' ' A' ' 24' ' ' GLY . 5.6 t-105 -51.09 -45.61 61.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.5 tp -78.29 -46.54 19.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.498 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 47.2 t80 -54.15 -60.89 2.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.51 -39.09 22.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.822 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.7 tp -64.46 -47.51 78.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 65.8 mt -61.23 -60.56 3.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.498 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 30.7 ptt85 -47.99 -43.71 29.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.458 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 18.1 t-20 -51.05 -37.02 42.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -80.21 150.49 30.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 59' ' ' ASN . 45.2 t -69.1 -48.5 62.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.468 ' C ' ' O ' ' A' ' 58' ' ' SER . 32.7 m-20 -32.96 -54.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -87.97 -51.7 5.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.53 172.64 47.12 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -13.83 35.15 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.241 . . . . 0.0 112.339 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -61.89 -36.07 80.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.3 p -52.58 138.45 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.1 t -114.45 173.16 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 69' ' ' THR . 12.2 mtm180 -53.57 -51.97 61.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' ARG . 0.8 OUTLIER -35.64 -52.89 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -58.55 -42.72 88.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 66' ' ' ARG . 88.9 m -55.55 -49.45 72.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 88.4 mt -57.77 -43.36 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -62.46 -45.94 90.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.7 tp -64.9 -47.5 77.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.0 tp -43.81 -45.69 7.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -47.62 -58.87 3.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -38.59 -57.94 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -40.57 -60.74 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.4 tp -53.19 -40.61 64.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -63.81 -39.93 95.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -79.29 10.76 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 63.77 32.84 13.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.409 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 95.8 t -83.61 -33.91 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.168 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 28.1 pt -144.23 127.92 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.452 ' CG ' ' HG3' ' A' ' 102' ' ' ARG . 17.3 pt-20 -109.42 153.41 24.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -74.11 161.69 29.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.443 HG21 ' N ' ' A' ' 86' ' ' LYS . 4.7 tp -39.97 -34.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.129 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.443 ' N ' HG21 ' A' ' 85' ' ' ILE . 7.4 mmpt? -84.63 -40.98 16.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 114.57 44.46 0.71 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -97.69 102.85 14.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 30.3 p-90 -110.47 177.32 4.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 59.41 39.23 94.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.453 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.515 ' O ' ' CG ' ' A' ' 92' ' ' GLU . 57.4 m -115.86 -30.11 6.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.348 . . . . 0.0 110.865 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 91' ' ' SER . 5.2 pt-20 49.81 32.59 5.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -131.25 104.79 7.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.2 m -141.85 156.58 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -133.38 177.95 7.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 96' ' ' ASP . 20.9 t70 -81.25 15.17 2.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -61.04 178.3 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.84 17.58 20.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -58.03 132.18 52.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 73.6 mt -67.27 143.67 56.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.471 ' O ' ' CB ' ' A' ' 40' ' ' CYS . 24.6 m-85 -135.33 175.06 9.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.452 ' HG3' ' CG ' ' A' ' 83' ' ' GLU . 3.8 ptm85 -159.56 174.0 15.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.575 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 3.4 t80 -108.42 135.48 19.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.686 0.755 . . . . 0.0 110.855 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.575 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.7 Cg_endo -69.8 -172.67 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.049 179.885 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.8 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.876 0.37 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 13' ' ' LEU . 2.9 ttmp? -39.57 -57.89 1.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 12' ' ' LYS . 13.0 tp -36.9 -50.78 0.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.483 ' CZ2' ' ND2' ' A' ' 79' ' ' ASN . 53.2 t-105 -57.56 -51.47 69.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -56.76 -47.2 80.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -54.73 -44.11 73.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.9 t -64.29 -62.24 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.1 p -50.97 -39.73 56.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.3 m -59.8 -54.23 48.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.465 ' CB ' HD12 ' A' ' 53' ' ' LEU . 2.8 m -66.24 -56.06 13.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.413 ' O ' ' C ' ' A' ' 22' ' ' ARG . 34.6 t80 -46.74 -63.99 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.437 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 4.6 tmm_? -35.71 -60.34 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -60.22 -63.31 1.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.458 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 25.0 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.855 0.359 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -129.05 157.17 42.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 81.4 p -79.67 163.61 24.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.132 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.6 -43.43 84.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.83 -63.28 3.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.534 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -46.01 -41.89 12.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.367 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.93 -44.24 91.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.434 ' CG1' ' HG3' ' A' ' 66' ' ' ARG . 71.5 t -49.13 -43.98 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -64.06 -49.87 70.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.494 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 2.5 t-105 -56.58 -49.43 74.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.486 ' CD2' HG21 ' A' ' 69' ' ' THR . 3.8 tt -63.16 -47.68 81.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -45.98 -59.45 2.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -53.64 -42.06 67.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.465 HD12 ' CB ' ' A' ' 20' ' ' SER . 27.9 tp -59.29 -42.06 90.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.456 HD11 ' CD2' ' A' ' 50' ' ' LEU . 78.1 mt -62.78 -63.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 10.1 ptm180 -49.31 -41.95 39.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.439 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -45.5 -37.88 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -71.68 177.07 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.1 t -95.62 -44.28 7.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -52.98 -52.65 57.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -70.97 -60.6 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.75 176.55 45.71 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.5 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -9.25 25.64 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.674 2.249 . . . . 0.0 112.381 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -68.73 -28.16 66.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.1 p -53.87 137.66 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.1 t -115.29 155.07 27.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.18 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.434 ' HG3' ' CG1' ' A' ' 47' ' ' VAL . 15.2 ttm105 -40.26 -52.58 2.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -38.55 -48.35 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -56.25 -44.4 79.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.486 HG21 ' CD2' ' A' ' 50' ' ' LEU . 25.8 m -54.6 -48.31 72.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 60.1 mt -59.3 -40.79 82.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -64.58 -52.64 56.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.3 tp -59.93 -41.75 92.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.8 tp -50.56 -41.36 54.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -47.71 -38.4 15.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 53.7 mttp -64.47 -45.91 85.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -48.66 -49.3 38.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 24.6 tp -67.96 -41.35 82.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 2.0 pttp -60.84 -32.78 72.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.483 ' ND2' ' CZ2' ' A' ' 14' ' ' TRP . 28.0 m-20 -88.1 6.55 35.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.56 ' CE1' ' CD2' ' A' ' 89' ' ' TRP . 6.2 t-160 65.07 35.03 8.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.805 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.1 t -81.51 -29.5 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.12 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 22.3 pt -139.43 125.68 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.424 ' CD ' ' HA2' ' A' ' 87' ' ' GLY . 6.4 tt0 -100.1 133.62 44.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.412 ' HA ' ' CD1' ' A' ' 101' ' ' PHE . 1.5 m-20 -54.9 177.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.8 tp -67.36 -32.12 55.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.077 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -83.59 -45.88 13.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.424 ' HA2' ' CD ' ' A' ' 83' ' ' GLU . . . 136.82 42.2 0.11 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.522 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -101.75 112.38 24.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.935 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.56 ' CD2' ' CE1' ' A' ' 80' ' ' HIS . 31.5 p-90 -133.56 149.03 51.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 106.91 -33.22 6.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.0 p -73.36 175.63 6.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -118.0 -21.74 8.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -53.54 101.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 24.0 m -140.77 107.84 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.417 ' HB3' ' ND2' ' A' ' 97' ' ' ASN . 2.2 m-20 -89.12 166.98 13.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.27 17.2 17.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.417 ' ND2' ' HB3' ' A' ' 95' ' ' ASP . 1.9 m-80 -91.68 -64.78 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 98' ' ' ASN . 0.1 OUTLIER -156.85 102.79 2.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -154.35 102.12 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 82.6 mt -65.87 138.96 58.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.412 ' CD1' ' HA ' ' A' ' 84' ' ' ASP . 29.4 m-85 -134.28 163.8 28.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.4 ptm85 -153.1 115.1 4.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.516 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 19.5 t80 -57.72 139.35 81.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.516 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.7 Cg_endo -69.72 164.11 35.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.668 2.246 . . . . 0.0 112.367 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.058 179.88 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.6 p -145.24 124.98 13.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.884 0.373 . . . . 0.0 110.841 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.9 t -103.72 120.58 41.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.851 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.05 58.68 0.3 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -78.81 148.71 32.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.809 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 m -113.86 122.91 48.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.01 42.93 87.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -49.21 -41.6 37.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -54.84 -58.0 9.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.46 -43.4 98.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.3 m -57.89 -44.15 86.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -54.6 -55.83 25.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.5 tp -49.5 -60.13 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.972 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -46.84 -52.48 14.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -57.21 -48.2 79.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.27 -56.45 18.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.4 t -58.19 -58.21 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.6 p -50.28 -38.82 43.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.1 m -64.73 -42.71 95.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.125 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.464 ' HG ' ' N ' ' A' ' 21' ' ' PHE . 80.7 p -70.71 -42.78 70.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.819 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.464 ' N ' ' HG ' ' A' ' 20' ' ' SER . 8.2 t80 -64.18 -57.19 10.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.4 ' CG ' ' CZ ' ' A' ' 103' ' ' PHE . 0.3 OUTLIER -41.89 -51.67 4.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -77.24 -64.06 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . 33.02 -109.99 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.459 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.2 mmt -110.44 154.38 43.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.533 0.682 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -50.86 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.0 mt -159.96 156.85 27.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.567 ' HB3' ' CE1' ' A' ' 30' ' ' HIS . 53.5 mtm-85 -129.38 144.24 51.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -86.19 107.62 17.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 28' ' ' ARG . 28.9 m-70 -115.74 152.53 33.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.2 tpp180 -60.31 127.43 31.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -155.1 117.97 4.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -82.44 -41.69 19.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -84.56 173.06 11.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -106.07 -14.37 15.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -39.66 -45.18 1.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.527 ' CD2' HD12 ' A' ' 100' ' ' LEU . 14.1 p90 -122.4 166.33 14.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.52 -40.31 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -87.09 4.07 43.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 110.927 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 87.8 m -94.72 174.49 7.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.413 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 11.0 p90 -145.08 141.19 28.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.0 p -69.81 138.93 53.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.42 -48.64 13.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.16 -66.81 0.85 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -41.75 -46.98 3.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 0.0 110.917 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.17 -44.32 79.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.449 HG21 ' CB ' ' A' ' 96' ' ' ASP . 88.0 t -43.99 -43.86 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -72.25 -55.37 7.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.589 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 2.4 t-105 -47.15 -43.38 20.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.3 tp -78.97 -51.11 10.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -47.01 -58.76 3.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -54.78 -40.78 69.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.8 tp -63.73 -34.42 77.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.8 mt -70.14 -57.98 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.962 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -53.86 -42.39 68.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -46.69 -39.67 11.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -67.29 177.41 1.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.6 t -97.15 -38.2 9.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.79 -53.26 54.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -80.55 -41.18 24.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.61 177.67 2.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -6.71 19.24 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -66.37 -29.63 69.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.78 130.96 29.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.1 t -108.95 164.72 12.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -45.0 -50.2 10.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -44.63 -48.19 10.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -57.67 -41.39 81.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.8 m -54.51 -53.32 55.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 34.7 mt -57.27 -43.01 81.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -60.51 -48.06 83.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.35 -48.02 77.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.6 tp -44.14 -42.9 6.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -46.37 -37.78 7.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -68.0 -41.73 81.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -51.98 -54.64 27.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.429 HD22 ' CG1' ' A' ' 94' ' ' VAL . 20.3 tp -59.35 -38.07 79.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -66.7 -40.03 88.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -77.62 8.15 4.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 66.77 31.94 7.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.1 t -79.91 -35.14 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 19.9 pt -141.21 124.09 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -100.28 143.72 30.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 84' ' ' ASP . 0.6 OUTLIER -60.01 169.69 1.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 86' ' ' LYS . 4.8 tt -62.26 -41.23 90.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.175 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.451 ' N ' HG22 ' A' ' 85' ' ' ILE . 20.5 mmtp -72.05 -48.77 41.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 134.95 36.56 0.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.525 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.4 ' O ' ' OD1' ' A' ' 84' ' ' ASP . 21.5 mmt180 -103.53 113.7 27.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.784 0.326 . . . . 0.0 110.849 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 29.3 p-90 -129.53 149.74 51.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 103.57 51.1 0.99 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.2 m -148.95 157.56 43.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 110.839 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -112.02 16.88 20.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -110.26 107.44 17.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.429 ' CG1' HD22 ' A' ' 77' ' ' LEU . 8.1 m -139.77 119.68 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.114 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.465 ' HB3' ' ND2' ' A' ' 97' ' ' ASN . 3.2 m-20 -89.03 159.96 17.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.449 ' CB ' HG21 ' A' ' 47' ' ' VAL . 14.2 p-10 -113.56 15.97 18.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.465 ' ND2' ' HB3' ' A' ' 95' ' ' ASP . 2.6 m-80 -86.2 -67.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -156.06 108.07 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -157.96 120.6 3.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.527 HD12 ' CD2' ' A' ' 37' ' ' TYR . 35.9 mt -80.26 127.71 32.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -121.17 176.4 5.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.4 ptt85 -162.74 162.55 26.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.554 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 2.7 t80 -85.32 135.29 39.12 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.598 0.714 . . . . 0.0 110.938 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.554 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 54.4 Cg_endo -69.69 -174.93 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.707 2.271 . . . . 0.0 112.388 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.076 179.886 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -130.81 159.11 38.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.912 0.387 . . . . 0.0 110.87 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -144.32 127.57 16.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.13 40.04 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -77.52 147.83 35.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 110.851 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.4 p -129.64 148.05 51.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.25 48.91 83.67 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -63.23 -44.87 94.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.38 . . . . 0.0 110.972 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -46.12 -49.78 16.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.89 -46.12 63.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.4 m -51.43 -46.12 62.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -52.22 -43.96 64.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.6 tp -71.52 -58.62 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -49.93 -35.14 22.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -75.79 -25.47 56.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -79.64 -45.02 19.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.451 HG12 ' N ' ' A' ' 18' ' ' THR . 6.3 p -68.79 -32.84 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.164 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.451 ' N ' HG12 ' A' ' 17' ' ' VAL . 17.3 p -75.55 -44.56 42.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.9 m -58.66 -48.81 79.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.462 ' CB ' HD11 ' A' ' 53' ' ' LEU . 3.0 m -68.23 -53.77 22.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.538 ' CD2' HD13 ' A' ' 50' ' ' LEU . 39.6 t80 -52.7 -52.37 56.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -40.11 -54.23 2.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.34 -63.37 1.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 39.15 -132.35 1.89 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.1 tpt -96.01 136.69 21.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.584 0.707 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -178.16 2.21 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.37 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.8 mt -62.98 136.87 58.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -140.17 156.85 46.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -66.1 141.36 58.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.455 ' HB2' ' NE2' ' A' ' 32' ' ' GLN . 0.9 OUTLIER -129.94 172.2 11.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' HIS . 4.6 mpt_? -37.82 -48.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.566 ' HG3' ' CD2' ' A' ' 37' ' ' TYR . 15.0 pm0 -64.18 160.3 18.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -95.36 143.45 26.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.823 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -39.39 -44.57 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -45.74 -60.12 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.55 -66.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.566 ' CD2' ' HG3' ' A' ' 32' ' ' GLN . 27.1 p90 -166.71 159.41 13.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.97 -43.26 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -52.05 -43.0 63.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.341 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.6 p -77.8 149.28 34.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -126.36 142.4 51.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 68.0 p -62.33 143.11 57.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.85 -48.05 76.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.089 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.2 -56.22 3.37 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -50.33 -47.48 55.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 0.0 110.919 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.02 -45.04 71.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.09 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.7 t -43.48 -47.3 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -66.93 -45.86 76.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.596 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 1.5 t-105 -55.58 -51.09 68.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.538 HD13 ' CD2' ' A' ' 21' ' ' PHE . 25.9 tp -67.62 -38.53 84.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.544 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 85.9 t80 -51.62 -59.9 3.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.83 -50.95 59.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.462 HD11 ' CB ' ' A' ' 20' ' ' SER . 13.2 tp -56.44 -43.16 79.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.445 HD22 ' CD2' ' A' ' 72' ' ' LEU . 69.7 mt -64.3 -64.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.544 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 14.2 ptt85 -48.51 -43.96 35.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -45.38 -43.68 11.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.491 ' ND2' ' H ' ' A' ' 59' ' ' ASN . 8.0 t30 -72.18 174.05 7.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.436 ' N ' ' ND2' ' A' ' 57' ' ' ASN . 57.8 m -89.0 -54.83 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.491 ' H ' ' ND2' ' A' ' 57' ' ' ASN . 15.2 m120 -35.43 -55.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -79.59 -41.18 27.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.12 174.31 1.28 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.506 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -16.07 37.68 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.354 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -60.62 -28.56 68.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.8 p -61.7 133.41 27.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.3 p -116.69 166.74 11.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -42.48 -53.48 4.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -43.26 -53.31 5.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -63.18 -42.31 99.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 49.1 m -54.99 -45.8 75.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.6 mt -61.83 -49.8 82.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -49.25 -44.0 43.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.445 ' CD2' HD22 ' A' ' 54' ' ' LEU . 47.4 tp -66.49 -45.26 80.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.0 tp -42.88 -39.77 2.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.441 ' NH1' ' O ' ' A' ' 92' ' ' GLU . 26.7 mtt-85 -50.68 -46.3 58.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -52.51 -56.46 15.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -42.85 -60.09 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.463 HD22 ' CG1' ' A' ' 94' ' ' VAL . 21.0 tp -52.67 -42.35 64.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -63.36 -38.77 92.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.845 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -78.98 9.59 4.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.432 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 23.5 t-160 65.77 32.32 8.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.2 t -82.52 -37.03 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.9 pt -140.19 126.26 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -102.38 151.45 22.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -81.41 154.36 26.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.4 tt -43.28 -42.1 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -80.77 -43.79 19.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 127.65 53.86 0.13 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.454 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? -91.31 17.61 8.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 9.3 p-90 -59.79 150.23 28.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 102.09 -32.81 7.1 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.533 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 85.6 p -88.97 172.27 9.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.441 ' O ' ' NH1' ' A' ' 74' ' ' ARG . 16.9 pt-20 -117.97 17.55 14.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 65.1 t-20 -90.08 108.61 19.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.463 ' CG1' HD22 ' A' ' 77' ' ' LEU . 33.7 m -140.37 163.09 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.084 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 94' ' ' VAL . 4.3 m-20 -161.86 168.94 22.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.52 10.56 5.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -57.21 177.17 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -78.66 10.17 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -63.33 107.56 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.524 HD12 ' CE2' ' A' ' 37' ' ' TYR . 8.4 mt -60.26 166.38 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -145.18 170.44 16.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -155.19 171.19 20.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.523 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 27.1 t80 -110.27 139.3 21.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.9 Cg_endo -69.76 155.85 64.85 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.688 2.258 . . . . 0.0 112.352 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.895 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 1' ' ' GLY . 24.0 m -35.25 -43.92 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.89 0.376 . . . . 0.0 110.858 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.2 t -118.85 150.74 39.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.7 44.92 1.19 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.4 p -155.79 156.84 35.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 110.892 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 m -127.91 177.0 7.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.99 81.31 0.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.507 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -89.58 -54.4 4.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 110.943 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.7 mtm180 -84.25 -45.5 12.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -39.96 -56.03 1.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.07 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 t -69.71 -39.14 77.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.172 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -44.48 -28.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 mt -74.12 -58.16 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -51.39 -41.86 60.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -64.16 -54.37 34.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -54.13 -46.7 72.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.4 t -60.15 -63.09 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.3 p -44.27 -41.42 5.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.143 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.1 m -63.16 -59.09 5.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 m -49.19 -49.24 43.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.416 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 13.8 t80 -47.08 -62.02 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -51.71 -65.58 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -51.11 -27.32 8.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.516 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . -36.51 -86.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.2 ptm -120.46 133.92 24.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 179.56 3.6 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.664 2.243 . . . . 0.0 112.323 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.6 tp -87.49 118.1 26.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -123.15 146.16 48.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -57.76 165.44 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -114.8 170.46 8.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 -60.58 -24.02 65.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.408 ' OE1' ' O ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -55.85 102.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -62.16 -54.52 39.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.408 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 4.3 t80 -52.02 167.14 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.445 ' N ' ' HD2' ' A' ' 35' ' ' LYS . 1.9 mptt -94.35 16.57 14.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt -43.54 -38.47 2.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.441 ' C ' ' CD1' ' A' ' 37' ' ' TYR . 6.6 p90 -156.01 142.36 18.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.48 -117.54 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.466 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.2 m-20 -109.6 107.87 18.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.911 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 99.2 m -130.8 164.41 25.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.417 ' CD1' ' O ' ' A' ' 41' ' ' PHE . 32.8 p90 -139.9 133.56 30.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 44.6 p -59.79 150.04 29.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.161 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.04 -51.47 69.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 45' ' ' GLU . . . -41.0 -69.48 0.5 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 44' ' ' GLY . 24.1 tt0 -36.06 -56.18 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.873 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.47 -46.93 9.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.078 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.439 ' CG1' ' HG3' ' A' ' 66' ' ' ARG . 65.3 t -45.65 -41.5 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -68.05 -52.65 32.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.595 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 1.1 t-105 -54.21 -54.4 40.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.8 tp -63.48 -48.17 78.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -50.61 -63.17 1.21 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -44.15 -46.55 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.87 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.6 tp -61.98 -43.31 99.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.9 mt -60.81 -56.02 26.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 9.5 ptm180 -57.68 -42.17 83.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.446 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 20.2 t-20 -50.1 -38.07 36.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -68.2 174.12 4.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.8 t -94.46 -51.71 4.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -38.8 -59.21 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -77.83 -42.23 34.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.66 178.96 10.01 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -16.18 37.27 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.644 2.229 . . . . 0.0 112.33 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -55.42 -35.72 65.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.404 ' CG2' ' HB2' ' A' ' 68' ' ' GLN . 14.7 p -59.72 134.47 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 66' ' ' ARG . 14.8 t -115.84 162.84 16.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.439 ' HG3' ' CG1' ' A' ' 47' ' ' VAL . 23.9 ttt-85 -37.72 -49.81 1.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -41.02 -53.01 3.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.404 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 21.8 mm100 -54.69 -43.57 72.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.1 m -54.34 -49.43 69.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.189 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 62.1 mt -59.92 -41.27 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -65.14 -50.34 66.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.6 tp -61.25 -47.37 86.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.4 tp -43.53 -45.17 6.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -43.15 -37.32 2.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -70.65 -39.66 73.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -53.25 -56.04 19.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 36.5 tp -55.02 -44.5 74.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -62.96 -36.67 84.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -81.66 16.21 1.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.419 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 23.4 t-160 60.24 32.07 20.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 67.3 t -80.92 -36.54 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.6 pt -140.7 127.48 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -104.59 148.1 26.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.411 ' HA ' ' CD1' ' A' ' 101' ' ' PHE . 0.7 OUTLIER -63.37 174.81 1.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.4 tt -73.13 -29.75 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -83.78 -46.35 12.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 133.95 44.93 0.12 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.492 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -109.92 104.07 12.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 0.0 110.906 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.53 ' O ' ' CG ' ' A' ' 89' ' ' TRP . 7.6 p-90 -130.23 119.3 22.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 141.2 37.97 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.7 p -151.61 170.0 20.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 110.854 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -117.51 17.89 14.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -96.39 103.02 14.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.1 m -144.67 124.74 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.48 153.33 21.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -79.65 11.64 3.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -80.35 178.02 8.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.05 102.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -148.65 103.6 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 18.8 mt -59.36 137.41 58.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 84' ' ' ASP . 10.8 m-85 -132.74 172.85 12.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -152.43 166.22 32.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.514 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 4.5 t80 -105.68 140.64 21.39 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.659 0.742 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.514 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.5 Cg_endo -69.85 178.4 4.67 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.287 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.884 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.5 p -87.36 -43.64 11.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.364 . . . . 0.0 110.852 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.6 m -126.8 158.45 36.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.07 103.88 3.1 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.3 p -124.1 132.01 53.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.92 0.39 . . . . 0.0 110.856 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 m -103.37 -37.44 7.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.41 40.48 3.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.448 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -65.37 -48.73 71.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.857 0.361 . . . . 0.0 110.89 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -39.67 -47.85 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.1 -42.23 60.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 12' ' ' LYS . 92.5 m -50.5 -62.38 1.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 11' ' ' THR . 10.6 tmtt? -34.58 -62.42 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.455 HD22 ' CE1' ' A' ' 60' ' ' PHE . 12.1 tp -47.52 -68.01 0.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -41.84 -45.46 3.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -62.56 -36.61 83.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 13' ' ' LEU . 4.5 tm-20 -68.24 -56.82 7.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.3 p -57.79 -44.91 86.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.8 p -62.87 -56.04 20.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.1 m -50.1 -53.61 26.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.9 m -58.0 -46.07 85.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -56.89 -46.89 81.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.822 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.506 ' HG3' ' CZ ' ' A' ' 103' ' ' PHE . 1.1 ttm180 -54.2 -64.69 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -55.32 -63.23 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . 34.47 -112.81 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.1 mmt -147.2 158.63 44.13 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.572 0.701 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -176.8 1.61 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.729 2.286 . . . . 0.0 112.313 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mp -119.41 110.06 16.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -97.66 -50.13 4.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.54 -67.69 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -61.2 114.68 3.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -143.52 123.81 13.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -156.86 153.72 28.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -54.19 137.27 41.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' LYS . 18.8 m-85 -48.58 -48.34 39.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -35.48 -50.88 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -80.65 -66.7 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.447 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 49.6 p90 -166.24 166.36 16.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.56 147.37 12.58 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.548 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 14.1 m120 55.8 47.55 20.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.922 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.447 ' SG ' ' CD1' ' A' ' 37' ' ' TYR . 28.5 p -106.82 151.21 25.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -133.45 130.18 38.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.8 p -65.26 131.08 45.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -38.19 -50.76 1.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.07 -53.95 28.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -46.44 -48.77 18.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.9 0.381 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.56 -44.55 85.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.465 ' O ' ' CB ' ' A' ' 51' ' ' TYR . 89.2 t -44.13 -36.08 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -79.53 -56.0 4.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.458 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 2.2 t-105 -49.38 -54.33 17.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.3 tp -66.38 -41.47 89.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.465 ' CB ' ' O ' ' A' ' 47' ' ' VAL . 12.7 t80 -51.64 -62.57 1.54 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -44.67 -45.02 9.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.1 tp -62.25 -40.73 97.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.459 HD22 ' CE2' ' A' ' 60' ' ' PHE . 83.3 mt -61.64 -52.25 65.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -62.85 -37.78 88.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -59.07 -37.91 78.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -58.18 165.33 2.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 91.5 p -97.26 -37.03 10.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -55.15 -42.81 73.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.459 ' CE2' HD22 ' A' ' 54' ' ' LEU . 3.2 m-30 -88.95 -59.56 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.33 175.05 37.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.439 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -2.17 9.73 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.73 2.287 . . . . 0.0 112.322 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -76.02 -24.45 55.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.6 p -62.21 126.96 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.054 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.4 p -116.29 169.28 9.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.411 ' CG ' HG12 ' A' ' 47' ' ' VAL . 22.5 ttm-85 -41.61 -49.15 4.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -43.77 -47.88 8.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -66.67 -41.65 87.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.8 m -56.87 -56.1 25.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.425 HD13 ' CG ' ' A' ' 96' ' ' ASP . 87.4 mt -52.58 -42.45 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -57.25 -47.59 80.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 53.5 tp -67.33 -40.45 85.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.0 tp -48.53 -35.01 12.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.457 ' HG3' ' CG2' ' A' ' 94' ' ' VAL . 10.7 mtt-85 -58.27 -46.9 85.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.814 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -53.22 -61.67 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -39.03 -58.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.466 HD22 ' CG1' ' A' ' 94' ' ' VAL . 41.1 tp -47.49 -50.53 23.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -66.73 -28.13 68.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -83.31 15.89 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.542 ' HB2' ' CZ3' ' A' ' 89' ' ' TRP . 3.2 t-160 56.15 31.98 19.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.597 ' O ' ' CE1' ' A' ' 103' ' ' PHE . 93.5 t -88.04 -36.87 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.5 pt -140.76 118.66 9.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -97.36 149.82 21.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -76.07 178.14 6.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.2 tp -71.84 -25.56 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -84.15 -48.07 10.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 132.06 47.35 0.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.433 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.1 mmt-85 -123.34 111.84 16.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.542 ' CZ3' ' HB2' ' A' ' 80' ' ' HIS . 31.6 p-90 -117.32 -35.78 3.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.39 70.78 3.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.518 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.4 p -162.44 161.57 27.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.843 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.443 ' O ' ' NH1' ' A' ' 74' ' ' ARG . 7.5 pt-20 -117.88 17.76 14.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -99.93 102.7 14.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.466 ' CG1' HD22 ' A' ' 77' ' ' LEU . 3.5 m -143.58 132.96 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -122.43 167.13 13.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.425 ' CG ' HD13 ' A' ' 70' ' ' ILE . 12.4 m-20 -82.21 16.29 2.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -63.95 178.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -77.69 10.28 2.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -53.0 117.69 3.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.7 153.6 41.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -141.78 172.32 12.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -160.69 171.35 19.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 81' ' ' VAL . 13.2 t80 -103.42 139.64 20.31 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.632 0.73 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.8 Cg_endo -69.75 178.72 4.28 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 2.238 . . . . 0.0 112.349 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.098 179.888 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m 60.9 43.23 12.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 110.864 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.3 t -98.93 158.89 15.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.18 43.54 2.27 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.537 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 p -113.3 126.05 54.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 110.885 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -103.93 132.85 49.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.831 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.11 91.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.495 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.468 ' C ' ' CD1' ' A' ' 8' ' ' TYR . 3.2 t80 -63.12 -59.68 4.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 110.919 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 10' ' ' ALA . 33.9 mmm-85 -41.79 -48.7 4.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.823 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 9' ' ' ARG . . . -35.85 -48.15 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 12' ' ' LYS . 63.1 p -52.4 -55.6 20.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 11' ' ' THR . 22.5 tptt -37.66 -45.08 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.456 HD11 ' CB ' ' A' ' 59' ' ' ASN . 3.7 tt -62.0 -61.44 2.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.488 ' O ' ' CG2' ' A' ' 18' ' ' THR . 7.9 t-105 -49.83 -45.11 49.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -61.65 -39.92 93.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -65.89 -55.09 18.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.443 HG11 ' N ' ' A' ' 18' ' ' THR . 6.9 p -61.44 -36.57 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 14' ' ' TRP . 57.4 p -68.25 -43.13 78.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.9 m -66.52 -39.38 88.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.7 p -66.78 -50.64 62.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -44.97 -62.29 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -46.61 -63.75 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -53.55 -28.61 32.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.535 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . -33.62 -43.99 0.29 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.551 ' N ' ' CD ' ' A' ' 26' ' ' PRO . 16.8 mtt 63.56 47.59 0.81 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.581 0.705 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 25' ' ' MET . 54.0 Cg_endo -69.71 6.24 1.37 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.721 2.281 . . . . 0.0 112.328 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.415 HD12 ' C ' ' A' ' 39' ' ' ASN . 13.2 tp -97.92 103.75 15.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -97.92 -67.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -153.99 174.07 15.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 31' ' ' ARG . 27.8 m-70 -152.91 122.62 6.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' HIS . 48.5 mtt-85 -35.65 -59.8 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.435 ' HG2' ' CZ ' ' A' ' 37' ' ' TYR . 2.9 mp0 -52.98 133.49 38.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -60.28 149.18 34.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.487 ' CG ' ' N ' ' A' ' 35' ' ' LYS . 3.5 p90 -50.99 -44.04 60.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.487 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 65.9 tttt -34.94 -45.88 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -84.11 -61.02 1.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.492 ' C ' ' CD1' ' A' ' 37' ' ' TYR . 3.3 p90 -168.03 166.1 13.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.65 -37.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.415 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -57.71 -26.99 62.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.919 -179.894 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 25.1 p -83.99 136.98 33.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -113.36 146.24 39.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.3 p -61.53 142.22 57.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.474 ' HB2' ' CE1' ' A' ' 101' ' ' PHE . . . -56.4 -47.47 78.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.073 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.62 -70.39 0.39 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.546 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -39.9 -54.59 2.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.72 -44.12 4.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.9 t -46.66 -43.98 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -70.37 -58.66 3.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.839 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.542 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 2.6 t-105 -45.48 -45.91 13.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.7 tp -72.3 -46.5 55.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -55.47 -63.4 1.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -45.74 -38.61 7.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 tp -68.23 -44.09 76.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 57' ' ' ASN . 26.1 mt -65.47 -62.33 1.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -43.28 -36.36 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -69.94 -37.4 75.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 54' ' ' LEU . 2.7 m120 -63.47 155.24 29.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' ASN . 30.8 t -74.59 -59.06 2.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.456 ' CB ' HD11 ' A' ' 13' ' ' LEU . 20.7 m-80 -35.97 -60.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -73.61 -45.95 49.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.18 163.91 10.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 2.96 3.08 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.622 2.215 . . . . 0.0 112.342 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -89.87 15.53 9.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.0 p -90.59 146.57 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.4 t -119.1 159.7 23.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 69' ' ' THR . 30.0 ttt85 -41.74 -57.93 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' ARG . 49.2 mt-30 -35.56 -55.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -56.7 -40.19 75.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 66' ' ' ARG . 28.7 m -59.98 -57.15 14.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.3 mt -52.33 -45.24 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -54.87 -57.49 11.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.7 tp -53.69 -43.57 69.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 tp -49.44 -42.73 43.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 57.2 mtt180 -51.95 -49.82 62.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.6 -57.88 7.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -41.06 -58.18 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 tp -56.26 -30.55 62.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -73.95 -42.56 60.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -77.46 11.91 1.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 67.35 33.02 5.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.538 ' O ' ' CE1' ' A' ' 103' ' ' PHE . 93.7 t -86.21 -27.77 6.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.9 pt -147.43 120.58 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.427 ' CG ' ' HG3' ' A' ' 102' ' ' ARG . 16.2 pt-20 -98.92 142.34 30.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -81.2 159.76 24.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.445 HG22 ' N ' ' A' ' 86' ' ' LYS . 2.7 tp -39.76 -34.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.445 ' N ' HG22 ' A' ' 85' ' ' ILE . 0.8 OUTLIER -76.68 -48.54 18.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.858 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 120.73 37.97 0.69 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.497 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -102.22 104.64 15.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 16.9 p-90 -112.79 17.92 18.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -125.81 58.32 0.68 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.6 p -161.67 158.51 26.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -117.41 17.95 14.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -99.34 102.75 14.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.7 m -140.43 129.09 25.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.126 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -117.78 168.3 10.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.55 12.2 2.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -54.16 178.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -78.88 11.64 2.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -57.15 135.47 56.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 25.9 mt -87.76 142.62 27.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.474 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 60.2 m-85 -130.61 153.9 48.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.427 ' HG3' ' CG ' ' A' ' 83' ' ' GLU . 7.4 ptm180 -142.58 175.1 10.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.538 ' CE1' ' O ' ' A' ' 81' ' ' VAL . 3.7 t80 -101.26 140.63 21.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.62 0.724 . . . . 0.0 110.94 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.7 Cg_endo -69.73 162.04 43.61 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.863 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.6 t -79.04 -55.29 5.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -124.94 109.67 13.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.54 81.92 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 p -111.07 174.0 6.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.339 . . . . 0.0 110.891 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -105.24 142.18 35.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.79 58.53 5.42 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.481 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -51.7 -60.29 3.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.892 0.377 . . . . 0.0 110.925 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -37.17 -46.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.91 -46.25 45.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.0 m -40.94 -59.06 1.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.57 -43.66 8.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 16' ' ' GLU . 31.1 tp -72.46 -63.26 1.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 38.1 t-105 -42.27 -37.27 1.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -71.1 -34.32 71.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 13' ' ' LEU . 7.6 mt-10 -70.89 -50.95 29.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.8 p -61.15 -42.86 94.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.0 p -62.03 -48.13 81.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.3 m -57.23 -40.98 78.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 m -69.91 -57.75 4.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -53.47 -50.15 65.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.492 ' HG2' ' CE2' ' A' ' 103' ' ' PHE . 3.6 tmt_? -43.64 -57.74 3.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -67.93 -63.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . 34.22 -128.62 0.52 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.439 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 mmt -100.5 152.86 37.95 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.617 0.722 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.673 2.249 . . . . 0.0 112.337 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 tp -168.06 163.51 13.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 49.2 ttm-85 -132.35 148.16 52.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -65.48 126.9 29.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -114.95 165.85 12.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.84 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -53.43 -59.11 5.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -82.81 162.37 21.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 34' ' ' PHE . 25.6 m-70 -63.45 121.94 15.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 35' ' ' LYS . 6.1 m-85 -35.4 -53.85 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' PHE . 32.7 tptt -33.82 -57.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.02 -56.61 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.513 ' CD1' HD13 ' A' ' 100' ' ' LEU . 6.5 m-85 -76.05 -64.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 116.13 57.14 0.33 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.7 t30 65.86 42.68 3.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 78.4 m -110.73 139.79 45.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -110.98 142.61 42.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.6 p -68.92 139.6 55.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.47 -45.81 62.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.082 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -45.97 -57.24 6.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -54.24 -43.65 71.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.819 0.342 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.66 80.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.2 t -43.79 -43.96 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.078 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -72.13 -41.8 66.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.513 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 3.4 t-105 -59.47 -41.03 88.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.433 ' HG ' ' CD1' ' A' ' 54' ' ' LEU . 51.7 tp -79.24 -42.36 26.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -61.23 -43.02 99.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -68.73 -23.34 64.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.505 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 6.6 tp -85.52 -27.86 25.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.433 ' CD1' ' HG ' ' A' ' 50' ' ' LEU . 12.7 mt -80.81 -44.09 19.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 4.8 ptm180 -53.94 -38.53 65.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -65.34 -38.23 89.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 28.0 t30 -62.18 152.91 31.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.3 m -80.56 -48.69 12.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -40.78 -58.59 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -80.11 -50.33 10.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.49 172.15 48.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -6.92 19.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.634 2.223 . . . . 0.0 112.372 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -67.35 -22.25 65.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p -58.63 135.82 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' ARG . 13.2 t -126.25 162.89 24.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' THR . 18.5 mtm180 -37.49 -56.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -40.8 -63.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -52.3 -44.69 65.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.1 m -53.52 -50.1 66.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 48.9 mt -54.43 -46.9 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.125 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -60.14 -47.31 86.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 73' ' ' LEU . 65.6 tp -60.75 -56.09 25.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' LEU . 10.1 tp -37.42 -43.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -46.37 -54.98 8.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -41.88 -52.56 4.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -48.06 -57.72 5.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 92' ' ' GLU . 10.4 tp -56.53 -39.48 73.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -62.49 -42.13 99.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -79.93 12.47 2.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 61.91 32.7 17.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.4 t -82.63 -29.05 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.154 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 34.5 pt -147.39 131.08 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.458 ' CG ' ' HG3' ' A' ' 102' ' ' ARG . 9.5 pt-20 -103.93 168.53 9.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.86 172.25 8.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.797 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.445 HG22 ' CD ' ' A' ' 86' ' ' LYS . 3.4 tp -37.38 -49.7 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.445 ' CD ' HG22 ' A' ' 85' ' ' ILE . 2.3 mptm? -68.67 -46.74 68.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 114.1 35.19 1.52 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.4 ptp85 -103.26 113.73 27.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 0.0 110.856 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 41.8 p-90 -101.15 176.98 5.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.31 44.19 52.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.511 ' O ' ' CG ' ' A' ' 92' ' ' GLU . 69.1 m -116.49 -29.58 6.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 91' ' ' SER . 8.5 pt-20 48.65 31.91 3.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -132.52 104.79 6.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.402 ' CG2' HD23 ' A' ' 73' ' ' LEU . 35.4 m -139.97 170.45 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -160.81 175.59 12.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -80.48 11.62 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -66.34 178.03 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.02 12.03 3.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -55.05 102.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.942 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.513 HD13 ' CD1' ' A' ' 37' ' ' TYR . 27.1 mt -56.71 147.14 23.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -136.01 174.91 10.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.458 ' HG3' ' CG ' ' A' ' 83' ' ' GLU . 14.5 ptm180 -168.05 157.12 9.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.543 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 6.2 t80 -87.01 140.12 32.73 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.696 0.76 . . . . 0.0 110.827 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.543 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.5 Cg_endo -69.75 158.75 55.89 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 179.835 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -143.96 146.1 32.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.8 p -76.57 132.3 39.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.44 109.32 0.13 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.444 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.4 p -88.31 -43.53 11.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.841 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -67.08 -46.77 73.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.02 84.66 0.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -39.94 -43.15 1.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.89 0.376 . . . . 0.0 110.942 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -89.54 -32.72 17.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.52 -44.37 69.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.107 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.0 t -64.77 -45.24 87.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.2 ttmt -41.51 -30.52 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.8 tp -64.84 -57.47 8.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.957 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.405 ' CZ2' ' CG ' ' A' ' 79' ' ' ASN . 34.4 t-105 -50.09 -43.77 51.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -66.46 -35.4 80.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.485 ' CD ' ' C ' ' A' ' 16' ' ' GLU . 2.2 tp10 -68.26 -58.69 4.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.6 t -47.4 -55.57 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.2 p -47.13 -46.96 23.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.193 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.1 m -56.52 -60.25 3.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.449 ' CB ' HD22 ' A' ' 53' ' ' LEU . 3.9 m -45.89 -55.37 6.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -47.0 -61.39 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -52.03 -58.41 6.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.83 -24.0 61.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.047 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.433 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . -39.19 -87.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.75 126.27 18.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.607 0.718 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 178.47 4.53 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.713 2.275 . . . . 0.0 112.369 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.6 mt -62.2 127.63 32.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -133.51 162.75 31.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -60.86 178.0 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -144.48 161.98 37.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -76.21 -25.16 54.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.402 ' CD ' ' OH ' ' A' ' 37' ' ' TYR . 26.2 mt-30 -62.81 159.31 16.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -52.01 167.12 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -82.11 -47.35 12.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -57.15 138.81 54.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.457 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 7.4 tmtm? 68.0 47.38 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.564 ' CE2' HD11 ' A' ' 100' ' ' LEU . 21.8 m-85 -155.19 161.17 41.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.27 70.11 0.19 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.5 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 53.12 33.29 14.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.79 0.329 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 59.5 m -101.35 143.93 30.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -118.45 135.71 54.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 72.8 p -56.16 131.31 47.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.193 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.8 -36.68 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.085 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -50.1 -48.78 38.55 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.539 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -52.75 -53.64 45.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -49.48 -45.03 46.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.0 t -43.02 -42.79 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -73.99 -59.8 2.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.593 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 0.9 OUTLIER -44.39 -58.89 2.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.67 -52.1 66.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -45.0 -65.75 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -41.29 -42.97 2.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.449 HD22 ' CB ' ' A' ' 20' ' ' SER . 5.8 tp -65.22 -46.64 79.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 73.3 mt -58.05 -52.92 63.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 5.5 ptm180 -62.56 -38.69 91.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.436 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 4.7 m120 -57.65 -27.48 62.87 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -79.7 162.32 25.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' ASN . 2.4 t -85.25 -57.4 3.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 58' ' ' SER . 48.7 m-80 -34.68 -45.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -91.59 -40.08 11.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.03 178.23 13.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -0.64 7.26 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.253 . . . . 0.0 112.316 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -70.41 -32.98 70.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.9 p -57.9 127.7 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 66' ' ' ARG . 14.2 t -118.87 167.33 11.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 65' ' ' THR . 20.5 mtm-85 -36.28 -53.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -46.83 -56.26 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -59.59 -40.24 86.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.8 m -57.74 -50.3 73.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.3 mt -58.96 -36.31 61.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -55.92 -44.57 78.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 42.7 tp -72.32 -33.35 67.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.5 tp -55.18 -41.11 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 27.6 mtt180 -55.53 -50.4 70.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -48.32 -57.49 5.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -41.42 -61.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.49 HD22 ' CG1' ' A' ' 94' ' ' VAL . 59.4 tp -46.24 -40.15 11.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.405 ' HD2' ' C ' ' A' ' 78' ' ' LYS . 0.5 OUTLIER -71.03 -34.17 71.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.405 ' CG ' ' CZ2' ' A' ' 14' ' ' TRP . 34.6 m-80 -83.55 15.14 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.407 ' CG ' ' O ' ' A' ' 80' ' ' HIS . 23.6 t-160 56.26 35.04 25.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.2 t -88.31 -29.13 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 18.2 pt -141.67 128.59 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -112.88 150.97 31.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -73.33 177.75 4.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 86' ' ' LYS . 4.7 tt -50.09 -41.64 18.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.427 ' N ' HG23 ' A' ' 85' ' ' ILE . 10.2 mmmt -69.16 -44.86 71.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 107.6 30.51 4.03 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -102.52 118.91 37.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 29.1 p-90 -113.85 168.09 10.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 110.47 31.61 2.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.449 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.5 p -145.61 167.61 22.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.81 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 8.4 mm-40 -118.02 -15.42 9.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -58.26 102.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.49 ' CG1' HD22 ' A' ' 77' ' ' LEU . 28.6 m -139.81 123.42 18.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -124.36 162.59 23.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -77.62 8.32 4.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -56.47 178.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.45 7.09 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -52.18 115.78 1.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.564 HD11 ' CE2' ' A' ' 37' ' ' TYR . 17.2 mt -62.05 144.37 55.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -137.94 161.28 37.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -159.13 170.3 22.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.565 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 2.9 t80 -100.6 135.26 20.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.642 0.734 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.565 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.9 Cg_endo -69.73 148.1 64.49 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.692 2.262 . . . . 0.0 112.365 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.085 179.904 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p -101.92 129.47 48.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.373 . . . . 0.0 110.826 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -47.32 -47.7 25.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.21 163.82 10.56 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -135.51 103.49 5.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 110.857 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -119.91 147.52 44.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 37.65 62.84 0.92 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -41.34 -48.88 3.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.89 0.376 . . . . 0.0 110.879 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -88.96 -44.05 10.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.18 -55.05 2.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.3 t -54.43 -47.79 72.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -41.69 -31.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.51 HD12 ' CE1' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -50.8 -55.94 14.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.894 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.41 ' CZ3' ' CE1' ' A' ' 76' ' ' PHE . 61.3 t-105 -53.9 -52.08 61.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -55.24 -42.24 73.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.0 -58.6 7.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.6 t -53.99 -62.18 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.7 p -45.34 -33.41 2.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.2 m -69.95 -46.43 65.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.073 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.0 p -67.72 -35.41 78.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -66.44 -53.93 29.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -41.94 -44.05 3.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.26 -61.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 40.8 -138.42 1.63 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -115.93 154.42 48.32 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.606 0.717 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 164.44 34.55 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.722 2.281 . . . . 0.0 112.305 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mp -71.49 132.06 44.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.9 mmp_? -87.23 -58.84 2.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -159.89 160.18 33.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -116.05 152.82 32.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -55.7 -42.37 75.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . 11.6 tp60 -62.27 104.19 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -38.33 -63.67 0.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.41 ' CZ ' ' HD2' ' A' ' 36' ' ' LYS . 17.6 p90 -91.95 164.55 13.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -70.18 106.76 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.41 ' HD2' ' CZ ' ' A' ' 34' ' ' PHE . 33.9 tttm -117.36 -37.81 3.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.894 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 32' ' ' GLN . 1.9 p90 -129.95 157.31 42.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.974 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.01 161.43 5.05 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.457 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -58.06 106.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.778 0.323 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 90.6 m -131.6 168.91 16.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -133.97 126.42 30.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 76.3 p -59.8 158.43 10.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.24 91.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.47 -62.84 5.77 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -44.71 -49.53 10.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.57 -42.26 64.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 94.8 t -48.62 -43.77 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -69.88 -57.81 4.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.603 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 1.8 t-105 -47.75 -47.36 30.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.7 tp -70.65 -54.67 11.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.561 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 7.3 t80 -46.12 -63.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.425 ' N ' ' CD2' ' A' ' 51' ' ' TYR . 1.7 t70 -46.77 -44.63 19.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 tp -60.35 -49.27 78.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.479 HD21 ' CZ ' ' A' ' 60' ' ' PHE . 57.1 mt -59.5 -64.64 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.561 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 4.8 ptt180 -45.86 -32.95 2.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -57.13 -45.46 83.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -69.52 169.3 12.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.7 m -82.55 -42.6 18.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -40.14 -50.06 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.51 ' CE1' HD12 ' A' ' 13' ' ' LEU . 11.6 m-85 -90.81 -54.27 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.68 171.81 44.63 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 3.03 3.04 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.657 2.238 . . . . 0.0 112.34 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -80.06 -40.33 27.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.7 p -53.23 137.12 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 66' ' ' ARG . 14.2 t -119.57 163.32 17.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 65' ' ' THR . 59.7 mtt180 -36.69 -53.87 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -37.56 -59.8 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -57.94 -43.03 86.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.1 m -53.38 -52.82 58.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 86.9 mt -57.96 -45.72 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.06 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -56.06 -42.1 76.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.3 tp -64.89 -48.07 75.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 76' ' ' PHE . 6.0 tp -43.4 -49.41 7.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -39.07 -42.09 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -66.27 -42.08 88.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 73' ' ' LEU . 3.2 m-85 -53.56 -54.84 31.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 36.6 tp -56.51 -33.2 65.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -75.09 -39.11 60.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -75.58 5.81 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 67.13 32.25 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 83.8 t -81.27 -34.03 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 31.1 pt -140.74 132.32 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.423 ' CD ' ' HA2' ' A' ' 87' ' ' GLY . 13.5 tt0 -109.92 143.7 39.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -63.73 158.8 20.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.471 HG22 ' CD ' ' A' ' 86' ' ' LYS . 2.4 tt -49.28 -43.06 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.471 ' CD ' HG22 ' A' ' 85' ' ' ILE . 11.0 mptt -70.36 -49.45 49.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.423 ' HA2' ' CD ' ' A' ' 83' ' ' GLU . . . 133.24 45.98 0.11 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -107.9 120.43 42.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 110.862 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 5.9 p-90 -141.59 154.34 45.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 108.03 -17.71 34.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.3 m -89.83 166.0 13.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.789 0.328 . . . . 0.0 110.851 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -117.77 17.13 14.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -94.38 102.2 14.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.5 m -147.81 135.52 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -152.18 148.71 27.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.442 ' OD1' ' C ' ' A' ' 96' ' ' ASP . 16.5 t0 -52.12 101.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -152.08 177.31 10.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.97 -7.65 37.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -53.64 102.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.04 167.1 5.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -143.03 177.88 8.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -161.37 160.86 30.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.522 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 32.4 t80 -101.36 139.28 20.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.628 0.728 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 54.2 Cg_endo -69.76 -177.78 2.03 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.667 2.245 . . . . 0.0 112.333 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.82 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -122.47 121.78 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 0.0 110.859 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.7 t -113.64 147.07 38.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.21 122.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m -69.99 -50.03 45.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.842 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 t -133.79 114.8 13.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.16 41.42 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -71.74 -48.45 46.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.885 0.374 . . . . 0.0 110.919 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -42.78 -44.16 4.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.13 -45.91 31.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.6 m -53.17 -55.68 22.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.106 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -46.68 -46.06 19.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.467 HD11 ' ND2' ' A' ' 59' ' ' ASN . 30.8 tp -52.93 -57.16 11.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -51.15 -56.03 14.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -55.02 -42.35 72.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -57.87 -49.11 77.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.2 t -60.71 -60.68 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.4 HG23 ' CE2' ' A' ' 76' ' ' PHE . 77.0 p -44.64 -44.66 9.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.9 m -54.83 -58.66 6.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 m -58.51 -42.4 87.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.417 ' O ' ' C ' ' A' ' 22' ' ' ARG . 5.0 t80 -54.42 -53.95 47.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.441 ' HD2' ' CE2' ' A' ' 103' ' ' PHE . 14.8 ttt180 -37.27 -58.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.94 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -72.74 -63.93 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.045 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.624 ' CA ' ' CZ2' ' A' ' 49' ' ' TRP . . . 34.18 -146.8 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.431 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 22.1 mtp -72.72 155.73 90.59 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.533 0.682 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -175.4 1.15 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.675 2.25 . . . . 0.0 112.345 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.45 ' CD1' ' HA ' ' A' ' 39' ' ' ASN . 4.1 mm? -69.37 159.16 33.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.0 ttm-85 -152.02 131.13 12.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -88.74 125.06 34.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.55 ' CD2' HG22 ' A' ' 42' ' ' THR . 61.4 m-70 -91.47 -63.84 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -156.88 101.98 1.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 33' ' ' HIS . 19.7 tp60 -156.98 105.76 2.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 32' ' ' GLN . 15.5 t-80 -34.77 -66.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -59.75 178.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.3 tptp -51.95 162.04 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -52.02 175.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -87.48 174.07 8.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.28 -106.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.45 ' HA ' ' CD1' ' A' ' 27' ' ' LEU . 1.5 t30 -114.44 17.96 17.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.777 0.322 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.2 p -86.57 159.41 19.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -154.21 141.01 19.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.55 HG22 ' CD2' ' A' ' 30' ' ' HIS . 77.3 p -56.11 151.36 12.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.161 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.71 -44.28 82.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.12 -51.53 11.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -55.19 -44.18 75.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.82 0.343 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.28 -40.31 61.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 65.8 t -50.07 -50.8 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -69.55 -48.56 59.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.624 ' CZ2' ' CA ' ' A' ' 24' ' ' GLY . 1.2 t-105 -50.59 -57.15 8.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.4 tp -66.36 -45.79 78.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -48.06 -54.13 14.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -57.73 -38.31 75.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 tp -66.01 -42.97 89.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.3 mt -64.38 -65.54 0.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 26.3 ptt85 -44.54 -46.15 9.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.46 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 19.4 t-20 -45.12 -45.26 11.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.535 ' ND2' HD21 ' A' ' 59' ' ' ASN . 33.0 t-20 -70.23 155.4 40.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.5 p -72.4 -43.69 63.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.535 HD21 ' ND2' ' A' ' 57' ' ' ASN . 70.4 m-80 -37.41 -60.45 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -83.75 -50.71 7.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.71 175.0 37.28 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -0.27 6.67 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.347 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -74.11 -31.47 62.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 65' ' ' THR . 9.6 p -63.96 141.8 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.182 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.469 ' N ' HG23 ' A' ' 64' ' ' VAL . 9.0 t -117.46 163.38 16.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 69' ' ' THR . 24.0 mtm180 -43.47 -56.82 3.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 66' ' ' ARG . 3.7 mp0 -34.28 -53.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -60.49 -41.99 95.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 66' ' ' ARG . 23.3 m -54.46 -53.71 50.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.3 mt -54.42 -44.85 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -57.04 -46.91 82.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.7 tp -64.84 -45.45 86.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.0 tp -42.99 -40.7 3.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -51.03 -52.77 39.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 78' ' ' LYS . 0.3 OUTLIER -45.0 -59.42 2.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 75' ' ' LYS . 84.1 m-85 -37.59 -43.57 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.422 ' CD2' ' O ' ' A' ' 91' ' ' SER . 41.6 tp -70.25 -40.38 74.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' LYS . 5.9 pttp -60.17 -34.75 74.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -86.2 4.3 39.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.712 ' CE1' ' CD2' ' A' ' 89' ' ' TRP . 4.2 t-160 66.81 32.9 6.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.48 HG11 ' CE1' ' A' ' 103' ' ' PHE . 52.4 t -79.24 -33.88 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.109 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 30.4 pt -132.23 131.34 60.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -108.03 151.24 26.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.427 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 0.7 OUTLIER -68.87 165.55 19.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.2 tt -68.22 -21.54 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.438 ' HA ' ' CE ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -90.03 -46.46 8.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.844 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 136.4 47.64 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -116.94 118.19 31.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.339 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.712 ' CD2' ' CE1' ' A' ' 80' ' ' HIS . 26.5 p-90 -139.61 150.58 45.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 96.28 44.4 3.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.422 ' O ' ' CD2' ' A' ' 77' ' ' LEU . 23.2 m -146.49 162.69 37.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.902 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -116.26 17.75 15.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.403 ' C ' HG11 ' A' ' 94' ' ' VAL . 4.8 m120 -105.28 102.1 11.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.403 HG11 ' C ' ' A' ' 93' ' ' ASN . 26.9 m -147.77 120.66 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.073 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -105.99 176.9 5.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.11 16.3 3.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -53.57 178.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.19 15.61 2.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -66.41 124.91 24.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 83.6 mt -77.59 141.68 39.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -127.89 157.07 41.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -135.64 177.1 8.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.528 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 5.9 t80 -117.63 140.35 27.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.722 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.8 Cg_endo -69.79 160.57 49.22 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.647 2.231 . . . . 0.0 112.36 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.877 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -127.79 141.78 51.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -110.47 172.06 7.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.41 -174.53 35.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.466 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.5 p -104.67 153.18 21.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.922 0.391 . . . . 0.0 110.812 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.0 m -76.94 -54.58 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.12 45.33 3.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.503 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.458 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 5.4 p90 -55.87 -43.86 77.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.862 0.363 . . . . 0.0 110.893 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.458 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -48.37 -54.76 12.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.32 -54.42 9.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 12' ' ' LYS . 90.0 m -40.91 -49.77 3.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' THR . 2.6 tppp? -37.12 -56.47 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.412 ' C ' HD22 ' A' ' 13' ' ' LEU . 2.5 tt -46.92 -63.38 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.2 t-105 -46.68 -53.39 11.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -47.5 -50.97 22.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -49.46 -52.91 26.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.3 t -53.62 -58.4 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.156 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.7 p -53.9 -41.43 67.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.6 m -62.91 -62.92 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.1 m -53.72 -49.58 67.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -52.67 -47.54 67.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -41.38 -61.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -65.51 -63.85 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.518 ' HA3' ' CE2' ' A' ' 49' ' ' TRP . . . 33.75 -132.26 0.37 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.528 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 20.8 ptt? -81.95 153.07 69.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 172.53 12.51 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.7 2.267 . . . . 0.0 112.349 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.481 ' HG ' ' ND2' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -70.44 117.04 11.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.419 ' N ' HD11 ' A' ' 27' ' ' LEU . 8.7 ttt85 -114.83 149.93 36.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -90.02 146.83 24.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -113.38 178.38 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.6 ttt85 -80.16 117.26 20.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.495 ' HG2' ' CG ' ' A' ' 37' ' ' TYR . 0.8 OUTLIER -154.87 156.03 35.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.451 ' N ' ' OE1' ' A' ' 32' ' ' GLN . 55.8 t60 -140.85 110.73 6.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.429 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 52.6 t80 53.66 47.9 22.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -135.99 174.41 10.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.44 ' C ' ' CD1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -75.2 102.13 4.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.854 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.561 ' CE2' HD12 ' A' ' 100' ' ' LEU . 27.2 m-85 -146.28 176.06 10.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 146.07 -107.61 0.42 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.481 ' ND2' ' HG ' ' A' ' 27' ' ' LEU . 21.8 t-20 -81.37 14.39 2.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 23.4 p -88.74 158.93 18.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.408 ' CE1' ' HA ' ' A' ' 102' ' ' ARG . 23.8 p90 -143.41 138.38 29.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.5 p -67.88 155.45 39.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.05 -46.92 63.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.121 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.88 -54.12 3.64 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -55.83 -41.86 74.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.65 -43.35 84.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.4 t -47.04 -46.15 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -67.07 -47.71 70.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.569 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 0.9 OUTLIER -56.37 -60.0 4.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.3 tp -59.63 -45.06 93.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -55.62 -49.33 73.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -24.0 63.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.493 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 8.1 tp -82.09 -32.43 30.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 77.4 mt -80.41 -52.57 7.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.434 ' CG ' ' N ' ' A' ' 56' ' ' ASN . 32.8 ptt85 -50.89 -49.5 59.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.497 ' OD1' ' C ' ' A' ' 56' ' ' ASN . 0.6 OUTLIER -60.06 -40.64 90.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.496 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 13.3 t30 -56.78 157.94 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 t -85.68 -45.61 11.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -43.77 -60.61 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -79.44 -47.03 16.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.39 174.23 45.67 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -16.43 37.75 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -56.77 -24.35 49.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.0 p -60.99 137.74 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.496 ' HG1' ' NE2' ' A' ' 68' ' ' GLN . 59.7 p -114.2 169.62 8.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.8 tpp85 -48.36 -57.16 6.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -42.14 -55.74 3.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.496 ' NE2' ' HG1' ' A' ' 65' ' ' THR . 0.5 OUTLIER -43.84 -44.55 6.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.1 m -54.86 -64.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.076 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.4 mp -40.84 -43.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.117 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -57.28 -57.48 12.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.3 tp -58.76 -45.54 89.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.3 tp -44.46 -40.54 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -51.45 -53.82 33.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -43.24 -56.6 3.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -39.32 -65.6 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.43 HD21 ' CG1' ' A' ' 94' ' ' VAL . 58.4 tp -55.65 -39.9 71.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -34.4 74.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -92.64 17.69 9.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.542 ' HB2' ' CE3' ' A' ' 89' ' ' TRP . 20.9 t-160 57.42 32.81 22.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 83.9 t -80.29 -34.81 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.121 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 16.4 pt -137.87 127.37 34.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.421 ' CD ' ' HA2' ' A' ' 87' ' ' GLY . 22.6 pt-20 -103.83 156.09 18.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.03 169.86 16.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 86' ' ' LYS . 5.3 tt -43.14 -37.16 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.469 ' N ' HG23 ' A' ' 85' ' ' ILE . 1.3 mptp? -70.4 -49.63 46.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.421 ' HA2' ' CD ' ' A' ' 83' ' ' GLU . . . 120.72 32.42 1.11 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -107.04 144.34 33.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.542 ' CE3' ' HB2' ' A' ' 80' ' ' HIS . 66.0 p-90 -135.39 164.0 28.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 108.18 50.0 0.79 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.1 m -152.25 148.12 27.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.817 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -113.62 16.68 18.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -103.55 102.67 12.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.43 ' CG1' HD21 ' A' ' 77' ' ' LEU . 34.8 m -153.95 116.79 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -109.95 177.65 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -82.56 14.88 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -77.31 178.04 7.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.42 106.56 3.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -152.98 112.72 3.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.561 HD12 ' CE2' ' A' ' 37' ' ' TYR . 99.4 mt -62.76 147.22 50.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -147.53 171.41 15.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 83' ' ' GLU . 6.8 ptt180 -161.28 167.56 25.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.552 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 7.6 t80 -101.42 139.66 20.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.679 0.752 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.552 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.9 Cg_endo -69.76 -172.39 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.693 2.262 . . . . 0.0 112.323 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.878 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.0 t -84.9 -46.33 11.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.894 0.378 . . . . 0.0 110.861 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.8 p -71.0 137.38 49.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.01 98.09 0.21 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.527 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -53.32 -48.01 68.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.869 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.9 t -138.43 116.05 11.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.96 42.55 4.06 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.456 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 9' ' ' ARG . 19.1 p90 -66.67 -55.33 15.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.919 0.39 . . . . 0.0 110.946 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 8' ' ' TYR . 34.1 ttt-85 -34.95 -53.01 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.42 -49.02 59.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.097 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.2 m -47.3 -42.6 21.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -50.06 -49.67 50.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.467 HD22 ' ND2' ' A' ' 59' ' ' ASN . 4.1 mm? -69.26 -58.87 3.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.502 ' O ' ' CG2' ' A' ' 18' ' ' THR . 43.4 t-105 -41.34 -46.99 3.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -63.34 -36.88 85.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 13' ' ' LEU . 44.0 mt-10 -71.94 -58.3 3.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.416 ' CG2' HD22 ' A' ' 54' ' ' LEU . 2.7 p -54.96 -39.7 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.159 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 14' ' ' TRP . 41.2 p -63.23 -46.06 88.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.3 m -59.92 -50.57 73.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m -61.43 -59.9 4.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.431 ' CD2' HD11 ' A' ' 50' ' ' LEU . 19.9 t80 -49.91 -48.58 51.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.421 ' HD2' ' C ' ' A' ' 22' ' ' ARG . 2.9 tmm_? -44.99 -54.95 5.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.479 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -72.06 -64.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . 31.51 -109.66 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -126.73 158.05 69.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.61 0.719 . . . . 0.0 110.84 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.424 ' C ' HD23 ' A' ' 27' ' ' LEU . 53.5 Cg_endo -69.8 -51.21 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.652 2.235 . . . . 0.0 112.334 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 38' ' ' GLY . 4.1 mm? -133.57 175.46 9.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.407 ' NH2' ' HB2' ' A' ' 49' ' ' TRP . 6.5 mmt180 -126.29 174.88 8.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.64 110.2 21.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.402 ' NE2' ' HA ' ' A' ' 41' ' ' PHE . 2.1 p80 -164.47 160.51 20.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -64.4 160.43 19.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 61.2 41.29 13.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.49 ' CD2' ' H ' ' A' ' 33' ' ' HIS . 3.6 p80 -52.66 -60.57 3.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -116.73 17.94 15.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.7 mmtt -70.13 -65.81 0.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -109.58 -36.99 5.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.564 ' CE2' HD23 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -120.92 177.91 4.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.474 ' O ' ' CD1' ' A' ' 27' ' ' LEU . . . -140.09 -58.83 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.464 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -89.17 6.16 41.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.888 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.437 ' SG ' ' CG1' ' A' ' 85' ' ' ILE . 1.8 t -88.69 160.22 17.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.402 ' HA ' ' NE2' ' A' ' 30' ' ' HIS . 4.9 p90 -153.63 158.82 41.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.4 p -80.57 151.19 29.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.125 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 44' ' ' GLY . . . -63.32 -53.9 45.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 43' ' ' ALA . . . -35.72 -65.83 0.44 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.12 -47.1 4.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.361 . . . . 0.0 110.927 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -50.63 -48.16 58.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.067 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.0 t -40.99 -49.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.12 -50.39 68.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.407 ' HB2' ' NH2' ' A' ' 28' ' ' ARG . 3.2 t-105 -52.67 -53.96 40.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.431 HD11 ' CD2' ' A' ' 21' ' ' PHE . 14.3 tp -65.77 -59.09 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.424 ' CZ ' ' HD2' ' A' ' 55' ' ' ARG . 16.5 t80 -39.7 -61.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -48.55 -48.25 38.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.0 tp -59.36 -43.98 92.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.416 HD22 ' CG2' ' A' ' 17' ' ' VAL . 41.1 mt -61.51 -60.36 3.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 13.3 ptm180 -52.03 -44.14 64.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.444 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 9.1 t-20 -45.39 -42.08 9.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -74.72 148.96 40.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 59' ' ' ASN . 44.4 m -66.32 -50.17 64.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.467 ' ND2' HD22 ' A' ' 13' ' ' LEU . 10.1 t-20 -33.84 -60.83 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -79.18 -49.08 13.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.95 175.93 33.22 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.506 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -16.09 37.37 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -55.7 -38.65 69.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.6 p -56.87 132.63 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.3 t -109.38 162.36 14.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.437 ' CZ ' HD13 ' A' ' 70' ' ' ILE . 11.7 ttt-85 -41.43 -52.42 3.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -40.29 -62.69 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -41.0 -40.73 1.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.5 m -55.34 -65.15 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.437 HD13 ' CZ ' ' A' ' 66' ' ' ARG . 5.2 mp -39.01 -42.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -66.77 -45.82 77.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.7 tp -63.87 -54.15 39.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.4 tp -39.68 -45.14 1.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -43.01 -51.86 5.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -46.42 -56.29 6.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -40.28 -60.75 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.5 tp -55.8 -36.05 66.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -63.36 -47.22 83.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -76.19 7.76 3.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 67.87 32.04 5.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.9 t -77.59 -29.32 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.419 HG22 ' CD2' ' A' ' 103' ' ' PHE . 23.7 pt -148.45 128.67 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -101.05 170.69 8.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -78.31 154.28 31.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.471 HD11 ' CD1' ' A' ' 100' ' ' LEU . 12.6 tt -38.72 -34.76 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -87.68 -42.56 12.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 130.26 50.77 0.11 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 88' ' ' ARG . 16.3 mtp-105 -110.94 138.18 47.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.759 0.314 . . . . 0.0 110.891 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 11.3 p-90 -144.03 170.48 15.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 73.04 41.48 47.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.515 ' O ' ' CG ' ' A' ' 92' ' ' GLU . 52.9 m -117.96 -27.55 6.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.84 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 91' ' ' SER . 8.4 pt-20 48.82 32.05 3.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -130.17 102.59 6.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.497 HG12 ' CZ ' ' A' ' 101' ' ' PHE . 9.1 m -145.73 124.49 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.02 175.79 5.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -81.99 12.47 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -82.42 178.11 8.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.36 102.76 1.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -149.16 107.56 3.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.564 HD23 ' CE2' ' A' ' 37' ' ' TYR . 77.2 mt -60.64 153.68 23.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.497 ' CZ ' HG12 ' A' ' 94' ' ' VAL . 29.2 m-85 -158.03 157.46 32.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -148.98 149.16 30.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.575 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 2.6 t80 -84.02 134.21 44.24 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.652 0.739 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.575 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.8 Cg_endo -69.78 178.86 4.16 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.706 2.271 . . . . 0.0 112.325 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.897 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 t 60.16 42.24 15.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 0.0 110.857 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 m -109.1 111.65 23.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.67 68.37 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.0 m -147.05 161.13 41.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.866 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 t -150.81 153.38 35.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.79 43.53 14.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.443 ' O ' ' C ' ' A' ' 9' ' ' ARG . 6.4 p90 -72.23 -52.82 14.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.87 0.366 . . . . 0.0 110.93 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 8' ' ' TYR . 9.5 tpp85 -34.41 -54.35 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.74 -50.72 65.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.1 m -49.24 -42.78 41.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -50.15 -61.81 1.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.1 mt -43.7 -63.97 0.74 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.452 ' CH2' ' CD1' ' A' ' 76' ' ' PHE . 62.3 t-105 -45.95 -44.63 14.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -64.76 -30.2 71.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -75.75 -61.91 1.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.2 p -52.19 -42.21 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.5 p -63.44 -46.29 86.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.5 m -63.45 -46.09 87.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.0 m -62.66 -45.28 93.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' ARG . 8.0 t80 -61.44 -59.8 4.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -35.05 -60.61 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -68.82 -33.91 74.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.086 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.556 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . -34.44 -76.57 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.516 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 37.2 tpp -52.06 107.35 0.81 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 6.85 1.15 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.732 2.288 . . . . 0.0 112.348 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.8 mt 67.99 47.99 1.02 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -52.01 158.43 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -95.56 164.57 12.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -131.17 172.93 11.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.6 ptt-85 -85.55 112.13 20.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -156.25 125.29 6.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' GLN . 25.6 t60 -37.94 -57.39 1.04 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -120.21 148.5 43.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.95 102.3 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -116.75 -37.44 3.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.945 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.519 ' CD1' ' N ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -74.44 -61.18 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.69 -95.56 2.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.519 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -115.65 17.96 16.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 83.3 m -79.98 167.77 20.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.516 ' CD2' ' HG2' ' A' ' 25' ' ' MET . 11.1 p90 -153.15 158.0 41.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.1 p -76.3 145.8 39.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 44' ' ' GLY . . . -59.95 -57.9 10.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.084 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 43' ' ' ALA . . . -34.03 -64.83 0.35 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -44.83 -45.96 10.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.88 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.57 -37.77 65.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.061 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 94.7 t -52.96 -48.89 51.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -65.7 -49.43 68.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.556 ' CZ2' ' HA3' ' A' ' 24' ' ' GLY . 1.1 t-105 -56.76 -62.82 1.47 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.1 tp -51.24 -42.07 60.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -62.12 -48.55 79.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.55 -38.58 69.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.2 tp -68.6 -43.88 75.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.8 mt -60.77 -54.65 42.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -57.8 -41.42 82.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -57.05 -41.33 78.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -56.95 174.16 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 m -97.73 -48.34 5.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -46.66 -56.91 5.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -75.94 -39.91 55.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.63 175.06 8.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -7.15 20.31 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.651 2.234 . . . . 0.0 112.344 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -64.84 -36.53 84.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.7 p -55.97 146.0 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 66' ' ' ARG . 15.2 t -130.85 166.2 21.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 66' ' ' ARG . 13.9 ttp-105 -37.06 -47.96 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -39.0 -59.57 0.96 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -58.25 -40.45 81.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 49.1 m -56.76 -57.51 12.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 89.6 mt -55.39 -46.52 78.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.123 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -56.25 -42.72 77.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.453 ' HG ' ' CE2' ' A' ' 76' ' ' PHE . 49.9 tp -66.31 -46.5 76.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.1 tp -44.82 -41.76 7.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.448 ' HG3' ' CG2' ' A' ' 94' ' ' VAL . 47.7 mtt180 -59.3 -43.0 92.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -60.3 -58.38 8.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.453 ' CE2' ' HG ' ' A' ' 72' ' ' LEU . 14.4 m-85 -38.46 -59.77 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.5 tp -49.06 -42.39 38.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.421 ' C ' ' HD2' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -63.17 -41.0 99.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.819 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -76.75 7.58 4.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.636 ' CE1' ' CZ3' ' A' ' 89' ' ' TRP . 3.2 t-160 66.27 32.29 7.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.459 ' O ' ' CE1' ' A' ' 103' ' ' PHE . 96.3 t -82.67 -31.16 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.9 pt -138.25 124.2 25.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -101.7 138.74 38.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.21 168.39 10.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.6 tp -59.26 -32.53 48.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -94.77 -39.71 10.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 121.85 52.1 0.23 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -94.03 17.42 12.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.751 0.31 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.636 ' CZ3' ' CE1' ' A' ' 80' ' ' HIS . 36.5 p-90 -57.76 148.02 26.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 113.04 -18.23 21.68 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.3 m -106.26 177.14 4.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 0.0 110.856 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -116.88 15.97 15.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -83.66 102.02 11.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.448 ' CG2' ' HG3' ' A' ' 74' ' ' ARG . 24.2 m -151.85 137.03 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.156 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -129.35 165.42 21.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -81.61 15.8 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.469 ' ND2' ' HG3' ' A' ' 99' ' ' GLN . 1.6 p30 -82.74 178.07 8.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.6 104.62 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.469 ' HG3' ' ND2' ' A' ' 97' ' ' ASN . 29.2 mt-30 -150.0 114.95 5.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 66.0 mt -69.24 136.13 51.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -130.04 174.21 9.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -154.58 174.87 14.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.459 ' CE1' ' O ' ' A' ' 81' ' ' VAL . 2.7 t80 -103.35 136.7 19.18 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.659 0.742 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.458 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.9 Cg_endo -69.74 171.9 13.59 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.83 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.6 p -68.26 128.76 37.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 0.0 110.831 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.3 m -93.11 -53.24 4.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.53 132.76 0.61 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -106.34 168.23 9.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.364 . . . . 0.0 110.85 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.6 p -132.26 127.22 35.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.827 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 8' ' ' TYR . . . 82.57 46.59 6.34 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.468 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 7' ' ' GLY . 4.2 p90 -34.93 -52.43 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.915 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.3 mtp85 -48.9 -52.82 22.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.87 -39.51 94.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.7 m -59.94 -52.68 64.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -57.56 -47.49 81.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.445 HD13 ' ND2' ' A' ' 59' ' ' ASN . 3.6 tt -58.01 -60.83 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.412 ' CH2' ' CD1' ' A' ' 76' ' ' PHE . 49.9 t-105 -54.84 -57.65 10.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -50.88 -34.42 28.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -67.19 -47.39 71.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 39.8 t -64.36 -34.69 70.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.404 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 41.5 p -76.75 -47.31 22.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.85 -35.98 75.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.157 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -79.36 -59.44 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.43 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 8.4 t80 -54.26 -44.88 72.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.417 ' HD2' ' C ' ' A' ' 22' ' ' ARG . 1.9 tmm_? -52.85 -48.87 66.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.12 -64.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.572 ' HA2' ' CZ2' ' A' ' 49' ' ' TRP . . . 60.87 129.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.46 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.49 ' N ' ' HD2' ' A' ' 26' ' ' PRO . 5.3 mtp -63.7 -59.97 10.31 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.598 0.713 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 25' ' ' MET . 53.8 Cg_endo -69.74 135.09 29.61 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.676 2.25 . . . . 0.0 112.329 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HG ' ' N ' ' A' ' 28' ' ' ARG . 6.5 tp -159.88 153.98 23.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.445 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 54.6 mtp180 62.22 40.04 12.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -76.1 -43.09 44.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -72.87 176.46 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -120.11 145.24 47.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.544 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 2.4 pm0 -131.83 177.33 7.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -74.56 -67.28 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.52 ' O ' ' CG ' ' A' ' 35' ' ' LYS . 73.8 t80 -152.08 103.21 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.52 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 11.2 ptpt 50.95 32.04 6.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.596 ' C ' ' CD1' ' A' ' 37' ' ' TYR . 37.7 mttm -102.72 119.98 39.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 36' ' ' LYS . 14.2 p90 46.61 32.83 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.29 -55.06 29.86 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.485 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -83.3 13.61 4.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.794 0.331 . . . . 0.0 110.853 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 97.7 m -96.41 160.73 14.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -138.43 125.99 22.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.7 p -62.67 164.08 8.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.01 -47.11 78.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.084 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.91 -61.48 7.3 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.471 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -51.41 -49.78 60.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.876 0.37 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.27 -48.39 62.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.3 t -39.91 -44.95 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -71.35 -46.13 61.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.584 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 2.1 t-105 -54.69 -46.05 74.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.8 tp -72.13 -53.15 13.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.495 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 28.6 t80 -47.09 -58.26 4.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.435 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 1.8 t0 -48.07 -42.76 29.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.895 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 tp -66.53 -45.44 79.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 65.6 mt -60.27 -56.97 15.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.495 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 25.5 ptt180 -54.24 -38.38 65.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.459 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 2.8 t-20 -55.97 -38.98 71.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -69.35 170.6 10.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.3 t -86.78 -49.4 7.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.806 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.445 ' ND2' HD13 ' A' ' 13' ' ' LEU . 86.4 m-20 -40.68 -54.22 2.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -84.32 -40.84 17.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.99 173.92 1.72 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.533 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 3.02 3.0 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.704 2.269 . . . . 0.0 112.352 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -78.76 -35.67 44.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.75 138.73 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.2 p -107.12 171.56 7.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -52.99 -44.28 67.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -46.73 -55.36 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -51.91 -43.4 63.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 70.6 m -53.64 -52.87 58.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 74.8 mt -54.58 -44.5 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -52.08 -48.87 64.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.435 ' HG ' ' CE2' ' A' ' 76' ' ' PHE . 31.6 tp -60.18 -48.6 81.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.2 tp -42.79 -43.58 4.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -54.73 -54.69 38.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -49.41 -60.06 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.435 ' CE2' ' HG ' ' A' ' 72' ' ' LEU . 22.0 m-85 -41.11 -61.86 0.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.413 HD23 ' CG1' ' A' ' 94' ' ' VAL . 14.8 tp -51.47 -39.77 58.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -66.1 -38.99 89.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -80.91 13.07 2.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.536 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 21.1 t-160 63.0 32.1 15.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.411 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 78.2 t -83.96 -30.34 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 22.1 pt -137.92 127.13 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -103.87 138.75 40.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -75.73 154.37 36.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 6.2 tt -54.98 -23.66 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -95.1 -42.01 8.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 117.81 52.26 0.32 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -105.0 17.69 23.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.33 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 19.6 p-90 -58.26 149.79 23.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 115.32 -38.81 2.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.483 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.7 m -82.05 171.74 14.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.841 0.353 . . . . 0.0 110.844 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -116.59 17.14 15.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -96.3 106.02 18.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.413 ' CG1' HD23 ' A' ' 77' ' ' LEU . 34.5 m -141.05 123.18 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -107.57 177.18 4.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.93 13.98 2.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -57.47 172.77 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -86.96 17.3 4.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.445 ' O ' ' CD1' ' A' ' 101' ' ' PHE . 55.5 mt-30 -58.41 108.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.6 mt -56.3 146.75 22.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.445 ' CD1' ' O ' ' A' ' 99' ' ' GLN . 46.8 m-85 -131.14 164.25 25.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -157.8 132.78 8.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.567 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 3.0 t80 -73.94 135.67 77.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.6 0.714 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.567 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.7 Cg_endo -69.78 171.97 13.5 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.896 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 t -81.37 126.04 31.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 110.87 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.7 p -97.8 128.03 44.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.23 80.07 0.33 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.4 p -74.7 121.17 21.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 t -62.67 -52.26 64.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.23 68.67 1.71 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.497 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.425 ' O ' ' C ' ' A' ' 9' ' ' ARG . 8.2 t80 -66.35 -58.44 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.925 0.393 . . . . 0.0 110.932 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 8' ' ' TYR . 6.6 ptm180 -36.37 -46.21 0.53 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.92 -43.45 62.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.7 m -55.95 -43.97 77.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.4 tptt -55.9 -60.75 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.3 tp -47.23 -49.37 23.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.46 ' CH2' ' CD1' ' A' ' 76' ' ' PHE . 30.9 t-105 -57.91 -46.19 85.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -59.06 -48.03 83.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -55.82 -49.86 72.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 78.2 t -61.5 -67.76 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.9 p -38.16 -45.85 0.99 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.3 m -61.0 -53.55 55.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.7 m -56.97 -58.85 6.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 21' ' ' PHE . 8.3 t80 -46.8 -52.4 14.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.555 ' HD2' ' CE2' ' A' ' 103' ' ' PHE . 9.2 ttt-85 -43.43 -64.16 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -71.99 -63.82 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.567 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . 34.24 -147.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -56.31 151.84 26.08 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.546 0.688 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 163.47 38.15 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.7 mt -77.13 147.96 36.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -122.72 160.09 26.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -86.53 116.31 24.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -77.57 167.55 21.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -59.58 -53.06 62.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -54.29 109.1 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -99.47 -30.55 12.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -53.35 175.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -71.51 0.9 7.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.448 ' HD2' ' CE2' ' A' ' 37' ' ' TYR . 8.8 ttmm -34.66 -63.69 0.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.529 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 18.1 p90 -155.42 163.94 39.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.15 -175.42 47.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.468 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -52.22 103.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 110.906 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.529 ' SG ' ' CD1' ' A' ' 37' ' ' TYR . 6.4 p -137.27 142.71 41.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 101' ' ' PHE . 9.5 p90 -108.79 155.36 20.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.4 p -85.45 166.99 15.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.122 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.65 -59.4 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.35 -58.58 1.65 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.22 -54.45 20.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.36 . . . . 0.0 110.913 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -47.87 -46.77 31.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.07 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.1 t -45.01 -41.49 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -68.86 -60.5 2.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.589 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 0.8 OUTLIER -41.11 -59.22 1.55 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.81 -50.78 69.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.499 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 38.9 t80 -43.66 -46.71 7.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -63.56 -46.65 84.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.1 tp -55.97 -35.83 67.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.401 HD21 ' CE2' ' A' ' 60' ' ' PHE . 46.4 mt -71.94 -63.69 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.499 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 41.9 ptt85 -51.89 -43.3 63.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.65 -43.26 17.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -73.21 172.3 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.2 t -86.46 -46.8 9.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -37.47 -54.83 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.401 ' CE2' HD21 ' A' ' 54' ' ' LEU . 31.5 m-85 -85.14 -55.83 3.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.57 172.79 41.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 2.92 3.08 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -80.12 -27.34 39.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.4 p -61.72 137.51 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.105 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.4 p -111.16 166.23 11.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.144 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -50.34 -48.18 55.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -43.33 -54.12 4.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -60.82 -37.24 81.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 98.5 m -59.98 -54.16 49.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 53.6 mt -55.85 -37.97 49.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -54.29 -46.06 72.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.58 -50.17 72.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.953 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 tp -41.03 -41.36 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -52.82 -47.67 67.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 78' ' ' LYS . 20.2 mttp -57.1 -60.98 2.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.46 ' CD1' ' CH2' ' A' ' 14' ' ' TRP . 20.2 m-85 -38.79 -58.48 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.409 HD23 ' CG1' ' A' ' 94' ' ' VAL . 67.7 tp -51.52 -36.41 44.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 75' ' ' LYS . 16.6 mtmt -72.17 -37.88 69.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -79.07 7.94 6.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.679 ' CE1' ' CE2' ' A' ' 89' ' ' TRP . 4.8 t-160 64.25 32.19 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.81 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.499 ' O ' ' CE1' ' A' ' 103' ' ' PHE . 92.8 t -82.22 -34.38 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.5 pt -133.49 135.02 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -115.33 155.13 27.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 88' ' ' ARG . 2.9 p-10 -90.46 167.57 12.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.4 tt -52.93 -37.23 25.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.469 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -70.5 -50.11 41.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 121.29 29.96 1.38 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.405 ' O ' ' OD1' ' A' ' 84' ' ' ASP . 55.2 mtm180 -95.07 102.09 13.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.341 . . . . 0.0 110.871 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.679 ' CE2' ' CE1' ' A' ' 80' ' ' HIS . 8.9 p-90 -120.79 118.59 30.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 137.14 35.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.14 166.75 23.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 110.839 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.01 14.6 14.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -96.91 102.35 14.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.409 ' CG1' HD23 ' A' ' 77' ' ' LEU . 15.6 m -141.92 112.29 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -99.29 163.38 12.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 30.9 p30 -80.79 -0.51 39.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -65.33 175.07 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.489 ' CG ' ' O ' ' A' ' 98' ' ' ASN . 0.4 OUTLIER -66.09 107.74 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -151.15 108.95 3.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 66.9 mt -56.13 159.71 3.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 41' ' ' PHE . 17.8 m-85 -152.35 172.59 16.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -165.22 163.12 20.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.555 ' CE2' ' HD2' ' A' ' 22' ' ' ARG . 4.6 t80 -107.68 140.58 21.7 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.549 ' HD2' ' CD2' ' A' ' 103' ' ' PHE . 53.3 Cg_endo -69.78 149.6 67.0 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.624 2.216 . . . . 0.0 112.361 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.879 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p -88.41 168.68 12.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.2 p -139.46 170.42 15.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.15 94.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -59.94 -55.85 29.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.896 0.379 . . . . 0.0 110.908 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.8 p -93.41 176.67 6.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.83 46.87 13.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.517 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -62.29 -44.45 96.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.357 . . . . 0.0 110.879 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -45.97 -53.86 9.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 11' ' ' THR . . . -65.53 -49.82 67.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.062 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.444 HG22 ' ND2' ' A' ' 15' ' ' ASN . 73.4 m -37.45 -50.21 1.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -43.92 -47.47 8.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.6 tp -56.21 -59.45 4.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.572 ' CD1' HG21 ' A' ' 18' ' ' THR . 9.7 t-105 -52.91 -46.12 67.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.444 ' ND2' HG22 ' A' ' 11' ' ' THR . 31.1 m-20 -61.3 -39.2 89.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -65.58 -55.15 19.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.92 -42.42 94.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.572 HG21 ' CD1' ' A' ' 14' ' ' TRP . 58.9 p -63.14 -46.52 86.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.3 m -59.53 -50.59 73.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 m -64.99 -58.27 6.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.435 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 37.8 t80 -44.27 -48.82 9.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.6 -64.92 0.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -68.78 -63.95 0.96 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.506 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . 33.74 -129.77 0.43 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.503 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -77.33 152.47 81.52 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.585 0.707 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 142.55 48.4 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.696 2.264 . . . . 0.0 112.367 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 tt -67.04 128.0 34.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.6 mtt-85 -122.2 177.86 5.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.68 156.86 25.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -110.0 172.95 6.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -82.08 110.88 17.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.481 ' NE2' ' H ' ' A' ' 32' ' ' GLN . 1.5 pm0 -137.49 131.15 31.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -61.11 -67.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -98.03 139.7 33.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -52.17 102.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -117.99 -37.97 3.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.507 ' CG ' HD11 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -135.62 151.45 50.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.75 -93.79 1.78 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -83.6 17.71 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.7 m -86.15 145.66 26.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -134.8 136.69 42.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.463 ' N ' HD22 ' A' ' 100' ' ' LEU . 22.1 p -57.29 145.49 31.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.56 77.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.8 -49.47 3.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -59.57 -43.03 93.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.34 . . . . 0.0 110.823 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.85 98.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.5 t -47.82 -42.1 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -68.25 -56.35 8.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.546 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 1.3 t-105 -44.09 -54.34 5.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 51' ' ' TYR . 36.7 tp -66.36 -60.94 2.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 50' ' ' LEU . 28.2 t80 -36.45 -47.68 0.63 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -58.15 -48.17 81.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.546 HD11 ' CH2' ' A' ' 49' ' ' TRP . 3.5 tp -62.94 -42.55 99.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 70.7 mt -61.24 -57.66 11.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 26.2 ptt180 -53.27 -40.01 64.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.432 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -58.25 -52.21 66.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -59.14 162.95 4.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 t -83.15 -42.18 17.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -39.0 -64.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -80.07 -46.3 16.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.61 170.1 24.09 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -1.87 9.23 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.682 2.254 . . . . 0.0 112.312 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -85.94 17.96 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.43 HG23 ' N ' ' A' ' 65' ' ' THR . 8.2 p -92.07 143.12 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 66' ' ' ARG . 13.9 t -117.33 150.01 39.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 65' ' ' THR . 32.1 mtm180 -34.88 -43.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -51.78 -56.27 14.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -53.35 -45.3 69.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.8 m -56.69 -54.34 47.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.439 HG21 ' NH1' ' A' ' 74' ' ' ARG . 58.8 mt -53.98 -41.15 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -57.61 -45.31 85.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.9 tp -64.26 -49.65 71.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.6 tp -47.37 -42.8 22.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.439 ' NH1' HG21 ' A' ' 70' ' ' ILE . 67.5 mtt85 -49.87 -50.87 44.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -52.24 -58.02 7.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.535 ' CD1' ' CH2' ' A' ' 14' ' ' TRP . 20.7 m-85 -43.39 -55.69 3.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.5 tp -56.38 -35.68 67.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.457 ' HD3' ' CG ' ' A' ' 92' ' ' GLU . 34.3 ttpt -72.1 -36.8 69.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -81.91 17.26 1.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.45 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 23.6 t-160 61.17 32.1 19.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.9 t -84.25 -33.18 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.3 pt -140.88 117.44 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -90.25 149.52 22.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -86.07 162.1 18.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.3 tt -49.03 -30.88 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -103.92 -35.89 7.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 117.99 68.72 0.36 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.8 mtm105 -108.5 17.69 21.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.779 0.323 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 23.4 p-90 -57.97 104.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 120.18 34.43 0.96 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.499 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.6 m -116.61 -16.63 10.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 110.836 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.457 ' CG ' ' HD3' ' A' ' 78' ' ' LYS . 35.7 mp0 53.45 41.86 32.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -145.73 102.43 3.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 28.7 m -138.09 146.49 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.425 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 16.7 m-20 -143.24 177.99 8.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -78.59 10.58 3.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.425 ' ND2' ' HB2' ' A' ' 95' ' ' ASP . 1.9 p30 -56.81 178.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.62 16.55 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -61.94 117.4 5.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.507 HD11 ' CG ' ' A' ' 37' ' ' TYR . 12.0 mt -79.07 138.76 38.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -124.3 168.25 13.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.1 ptt85 -152.45 169.96 21.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.514 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 9.3 t80 -111.53 139.96 22.62 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.664 0.745 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.514 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.4 Cg_endo -69.8 149.31 66.45 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.279 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.845 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -40.09 -46.66 2.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.918 0.389 . . . . 0.0 110.921 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -91.86 -44.84 8.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.32 167.27 28.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.521 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -127.27 139.14 53.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.895 0.378 . . . . 0.0 110.79 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 p -59.25 -34.51 72.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.75 49.36 0.94 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.459 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 4.4 p90 -47.49 -44.55 25.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.925 0.393 . . . . 0.0 110.951 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.459 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 11.5 tpt180 -51.57 -59.24 4.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.38 -50.78 70.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.8 m -39.77 -46.28 1.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -63.04 -50.97 68.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.8 mt -48.63 -53.5 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 30.6 t-105 -57.82 -41.79 82.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -63.16 -37.0 85.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -71.25 -61.76 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.6 p -50.45 -34.49 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.6 p -75.52 -53.38 8.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.407 ' CG2' ' N ' ' A' ' 20' ' ' SER . 0.9 OUTLIER -57.8 -37.71 74.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.407 ' N ' ' CG2' ' A' ' 19' ' ' THR . 26.8 m -72.01 -56.81 4.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.427 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 18.9 t80 -44.19 -58.82 2.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.558 ' HG3' ' CZ ' ' A' ' 103' ' ' PHE . 4.6 ttm180 -44.26 -43.57 7.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -66.6 -32.79 74.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . -33.55 -40.26 0.12 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.515 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.547 ' N ' ' CD ' ' A' ' 26' ' ' PRO . 34.6 mmm 60.73 47.82 1.45 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.524 0.678 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 25' ' ' MET . 53.8 Cg_endo -69.7 3.55 2.68 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.726 2.284 . . . . 0.0 112.333 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.0 mt -78.12 176.17 9.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 54.59 43.31 30.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.825 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -157.84 103.17 1.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.42 ' NE2' HD22 ' A' ' 100' ' ' LEU . 29.2 t-80 -160.1 160.24 32.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -83.0 14.0 3.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -65.3 118.99 10.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -72.86 -64.87 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -98.18 143.85 28.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -56.67 101.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -117.99 -38.0 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -134.73 153.31 52.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.07 -149.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -84.68 106.29 16.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.0 m -135.43 151.93 50.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -125.16 130.58 52.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 70.0 p -70.43 137.09 50.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.156 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.74 -48.25 2.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.26 -61.38 4.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -48.14 -45.21 32.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.22 81.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.402 ' O ' ' CB ' ' A' ' 51' ' ' TYR . 86.2 t -40.57 -44.98 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -71.64 -61.03 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.495 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 1.6 t-105 -43.95 -57.63 3.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.26 -44.45 96.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.402 ' CB ' ' O ' ' A' ' 47' ' ' VAL . 15.9 t80 -53.71 -66.9 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -42.16 -42.63 3.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.6 tp -65.28 -37.68 87.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.427 HD21 ' CE2' ' A' ' 60' ' ' PHE . 84.5 mt -66.67 -60.62 2.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 7.6 ptm180 -50.41 -36.64 33.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.447 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -50.38 -39.34 46.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -65.17 176.99 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.4 m -92.03 -40.89 10.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -57.77 -48.52 79.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.427 ' CE2' HD21 ' A' ' 54' ' ' LEU . 63.9 m-85 -80.24 -42.68 22.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 52.44 -178.87 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -4.69 14.53 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.712 2.274 . . . . 0.0 112.282 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.05 -39.89 72.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.7 p -52.63 147.51 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 66' ' ' ARG . 14.2 t -135.8 163.36 30.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 65' ' ' THR . 1.1 mpp_? -34.33 -51.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -40.31 -52.99 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -66.02 -45.44 81.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.1 m -52.78 -52.48 56.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.193 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 18.7 mt -57.81 -39.76 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -59.85 -41.33 91.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.0 tp -74.46 -39.99 62.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 tp -51.73 -34.02 37.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -61.35 -44.36 97.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -53.26 -48.9 67.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -48.87 -63.59 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.6 tp -49.63 -33.58 15.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -73.46 -38.78 65.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -77.69 6.55 7.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.465 ' CD2' ' CG ' ' A' ' 89' ' ' TRP . 15.8 t-160 67.36 32.83 5.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.58 ' O ' ' CE1' ' A' ' 103' ' ' PHE . 83.3 t -85.89 -29.65 6.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 21.8 pt -141.8 126.65 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.471 ' CG ' ' HG3' ' A' ' 102' ' ' ARG . 13.6 pt-20 -103.53 167.92 9.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -90.6 162.99 14.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.5 tp -41.7 -32.84 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -89.83 -41.16 11.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 128.17 38.87 0.36 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.467 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -94.34 117.41 30.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.465 ' CG ' ' CD2' ' A' ' 80' ' ' HIS . 57.9 p-90 -145.29 158.76 43.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 110.19 -35.48 4.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 90.1 p -79.57 169.43 18.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.352 . . . . 0.0 110.837 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -117.29 17.82 14.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -90.68 104.93 17.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.5 m -152.05 146.64 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -139.62 178.05 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -80.31 13.14 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -58.4 178.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.88 17.93 3.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -59.67 125.92 25.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.42 HD22 ' NE2' ' A' ' 30' ' ' HIS . 43.7 mt -71.93 151.26 43.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -144.0 170.09 16.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.471 ' HG3' ' CG ' ' A' ' 83' ' ' GLU . 4.6 ptm85 -162.32 177.13 9.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.58 ' CE1' ' O ' ' A' ' 81' ' ' VAL . 2.7 t80 -99.22 140.81 21.95 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.693 0.759 . . . . 0.0 110.807 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.567 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 54.0 Cg_endo -69.73 174.29 9.7 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.657 2.238 . . . . 0.0 112.353 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.855 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 p -59.54 -31.88 69.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.924 0.393 . . . . 0.0 110.901 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -79.44 114.3 18.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.85 42.24 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -86.88 -49.64 7.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.899 0.38 . . . . 0.0 110.877 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.2 m -62.77 -59.06 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.26 46.43 3.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.556 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 5.9 p90 -74.19 -49.41 23.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.896 0.379 . . . . 0.0 110.873 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.556 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 53.3 ttp180 -36.1 -45.07 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.77 -42.64 60.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 8' ' ' TYR . 98.9 m -57.89 -45.45 86.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -51.57 -58.1 7.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.569 HD21 ' CZ ' ' A' ' 60' ' ' PHE . 20.0 tp -53.4 -60.49 3.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.578 ' CH2' ' CD1' ' A' ' 76' ' ' PHE . 48.2 t-105 -48.87 -44.5 39.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -62.61 -33.46 75.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -75.44 -60.81 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 p -52.04 -41.63 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.3 p -64.84 -52.52 56.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.3 m -58.2 -52.16 66.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.6 m -60.13 -50.17 74.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -54.65 -57.65 10.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 103' ' ' PHE . 1.1 ttm180 -37.97 -63.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -64.74 -33.13 75.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.557 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . -33.89 -91.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 17.2 mmt -81.27 124.88 80.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.707 . . . . 0.0 110.847 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -175.14 1.06 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.618 2.212 . . . . 0.0 112.366 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.7 mt -112.09 -35.75 5.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -73.49 -40.54 64.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.83 119.64 25.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.453 ' O ' ' C ' ' A' ' 31' ' ' ARG . 17.8 p-80 -165.45 161.27 18.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 30' ' ' HIS . 21.7 mmt85 -34.29 -65.48 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . 2.6 tp60 -56.7 133.06 53.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -107.34 -23.13 12.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -62.49 -11.79 18.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.1 mptt 60.96 41.52 14.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -95.69 -37.78 10.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.548 ' CE2' HD23 ' A' ' 100' ' ' LEU . 6.0 m-30 -41.05 -63.6 0.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.58 60.04 0.52 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.447 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.5 m120 62.51 47.84 4.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.815 0.34 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 98.8 m -128.26 170.8 12.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -156.81 143.05 18.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.423 ' CG2' HD21 ' A' ' 100' ' ' LEU . 64.1 p -62.05 142.65 57.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.123 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' GLY . . . -66.87 -46.6 74.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' ALA . . . -35.49 -59.0 0.85 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.519 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -57.61 -41.25 80.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.74 -45.1 78.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.9 t -48.05 -49.45 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -65.4 -46.87 78.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.585 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 1.2 t-105 -54.07 -55.19 29.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.3 tp -63.21 -50.58 69.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -49.24 -62.43 1.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -46.2 -45.43 16.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.443 HD12 ' CH2' ' A' ' 49' ' ' TRP . 8.3 tp -61.2 -42.7 99.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.54 HD22 ' CE2' ' A' ' 60' ' ' PHE . 58.9 mt -63.34 -63.42 1.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 4.7 ptm180 -50.0 -36.83 30.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.456 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 23.7 t-20 -51.99 -34.94 44.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.403 ' ND2' ' HB2' ' A' ' 59' ' ' ASN . 62.2 t30 -78.89 172.76 13.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.6 m -84.51 -49.73 8.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.812 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.403 ' HB2' ' ND2' ' A' ' 57' ' ' ASN . 11.8 m-20 -42.0 -59.86 1.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.569 ' CZ ' HD21 ' A' ' 13' ' ' LEU . 84.0 m-85 -75.06 -37.96 61.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.818 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 55.49 177.35 0.22 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -12.25 32.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.389 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.75 -37.22 86.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.7 p -55.03 131.68 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.16 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.7 t -115.4 163.84 15.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 67' ' ' GLN . 12.1 ttm180 -40.57 -53.47 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' ARG . 36.8 mt-30 -34.33 -62.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -54.66 -42.75 71.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 66' ' ' ARG . 41.1 m -55.34 -51.21 67.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.7 mt -56.73 -44.11 80.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -60.93 -44.95 96.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 47.2 tp -62.22 -55.37 29.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.7 tp -38.99 -37.76 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -55.3 -57.21 12.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -41.07 -57.92 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.578 ' CD1' ' CH2' ' A' ' 14' ' ' TRP . 19.3 m-85 -44.33 -52.31 7.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.9 tp -54.51 -40.29 68.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -74.61 -30.71 61.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -81.44 14.83 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 58.72 32.15 21.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.597 ' O ' ' CE1' ' A' ' 103' ' ' PHE . 61.7 t -88.32 -33.39 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.7 pt -139.63 119.58 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -95.22 151.92 18.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.15 159.35 24.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.415 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.9 tt -42.78 -26.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.415 ' N ' HG22 ' A' ' 85' ' ' ILE . 0.9 OUTLIER -90.03 -44.7 9.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.877 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 127.11 46.29 0.2 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.465 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -105.12 120.15 40.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.758 0.314 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 32.2 p-90 -118.01 16.48 14.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -146.99 52.92 0.55 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.516 ' O ' ' CG ' ' A' ' 92' ' ' GLU . 1.1 t -111.3 -28.85 8.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 91' ' ' SER . 7.4 pt-20 48.76 32.05 3.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -136.55 105.42 5.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 17.4 m -142.99 161.43 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -163.9 177.99 8.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -74.5 5.29 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -54.55 178.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.84 16.07 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -69.71 120.62 15.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.548 HD23 ' CE2' ' A' ' 37' ' ' TYR . 34.2 mt -75.41 165.48 25.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -156.13 163.11 40.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -149.85 172.77 14.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 81' ' ' VAL . 4.4 t80 -108.9 140.67 22.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.644 0.735 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.6 Cg_endo -69.69 149.79 67.79 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.819 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.4 p -78.63 117.18 19.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.868 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 m -121.09 122.74 40.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.817 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.06 128.63 1.1 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 m -130.54 177.48 7.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.877 0.37 . . . . 0.0 110.845 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -146.89 105.54 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.831 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.57 41.06 99.84 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.417 ' O ' ' C ' ' A' ' 9' ' ' ARG . 11.2 p90 -43.68 -59.5 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 110.88 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 21.6 ptt180 -35.41 -40.73 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.466 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -84.33 -50.31 7.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.5 m -45.26 -43.2 10.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -59.24 -56.27 24.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.513 HD22 ' CE1' ' A' ' 60' ' ' PHE . 58.9 tp -60.6 -58.27 9.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 42.7 t-105 -46.25 -44.08 16.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -67.21 -38.13 84.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.69 -55.16 18.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.4 p -57.68 -42.69 82.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.166 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.0 p -64.3 -52.48 58.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.9 m -45.95 -52.64 11.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 24' ' ' GLY . 0.6 OUTLIER -60.15 -42.92 95.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.831 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.443 ' CE1' ' CG2' ' A' ' 82' ' ' ILE . 37.2 t80 -50.79 -50.09 56.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.411 ' HD2' ' C ' ' A' ' 22' ' ' ARG . 5.2 tmm_? -46.9 -60.2 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.04 -63.65 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.06 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.527 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . 41.04 -136.57 2.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.3 mtm -94.58 154.02 40.17 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.514 0.673 . . . . 0.0 110.934 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 166.18 28.43 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.349 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.446 HD13 ' ND2' ' A' ' 39' ' ' ASN . 5.9 mt -68.19 116.3 8.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.6 mmm-85 -75.91 -64.96 0.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -167.11 169.66 12.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -105.95 135.57 47.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.466 ' O ' ' C ' ' A' ' 32' ' ' GLN . 11.0 ttt85 -97.93 -57.13 2.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.52 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 24.1 tp60 -32.56 -48.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 32' ' ' GLN . 47.1 m-70 -168.55 177.97 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.53 ' O ' ' CG ' ' A' ' 35' ' ' LYS . 26.0 m-85 -118.4 122.95 44.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.53 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 11.7 pttp 50.93 33.84 9.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.0 tttt -108.87 -30.31 8.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.58 ' CE2' HD12 ' A' ' 100' ' ' LEU . 6.5 p90 -138.52 159.3 42.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.93 162.29 0.86 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.446 ' ND2' HD13 ' A' ' 27' ' ' LEU . 7.6 t-20 -63.27 102.02 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.781 0.324 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.7 m -133.36 172.11 13.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -130.71 137.33 49.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.5 p -70.03 142.11 52.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.97 -43.76 50.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -45.71 -54.16 8.02 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -54.6 -45.89 73.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.346 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -50.51 -35.82 31.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 99.4 t -54.41 -52.92 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -65.25 -50.34 66.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.618 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 1.5 t-105 -52.49 -47.64 66.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.3 tp -71.74 -40.11 69.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 51' ' ' TYR . 2.1 t80 -51.75 -53.12 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.977 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.466 ' HA ' ' CG ' ' A' ' 55' ' ' ARG . 2.7 t70 -55.65 -41.86 74.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.429 HD12 ' CH2' ' A' ' 49' ' ' TRP . 6.2 tp -60.78 -49.01 79.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.432 HD13 ' CD2' ' A' ' 72' ' ' LEU . 21.7 mt -70.3 -62.64 1.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.508 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -42.61 -39.68 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -65.71 -40.04 91.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -64.21 160.22 18.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.7 t -86.23 -44.88 11.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -41.79 -53.0 3.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.513 ' CE1' HD22 ' A' ' 13' ' ' LEU . 92.5 m-85 -86.71 -42.69 13.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.14 168.67 40.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -13.92 35.23 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.721 2.281 . . . . 0.0 112.31 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -60.51 -20.92 61.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.1 p -54.7 133.99 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.4 p -123.0 166.16 15.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' A' ' 66' ' ' ARG . 17.0 ttp-105 -38.7 -53.96 1.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -48.77 -50.88 31.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.08 -47.55 85.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.4 m -53.22 -46.02 68.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.1 mt -64.97 -44.58 96.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -52.51 -52.94 52.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.432 ' CD2' HD13 ' A' ' 54' ' ' LEU . 61.3 tp -60.48 -42.55 96.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.2 tp -46.17 -43.65 15.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 -45.18 -45.2 11.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -56.3 -50.34 71.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -45.51 -63.12 1.03 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.462 HD23 ' CG1' ' A' ' 94' ' ' VAL . 25.1 tp -53.89 -35.44 61.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -66.32 -41.45 89.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -81.35 15.49 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.527 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 20.6 t-160 57.74 32.37 21.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.1 t -81.25 -34.17 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.443 ' CG2' ' CE1' ' A' ' 21' ' ' PHE . 20.0 pt -138.43 123.58 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -101.08 149.9 23.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.29 170.75 15.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.2 tp -59.25 -33.92 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.484 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 1.1 mppt? -85.93 -43.87 12.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 126.23 41.47 0.33 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.526 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -82.61 17.96 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.755 0.312 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -52.13 158.88 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.87 34.17 43.75 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 38.1 m -142.56 177.96 7.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.353 . . . . 0.0 110.877 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -117.53 -28.57 6.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.426 ' C ' HG13 ' A' ' 94' ' ' VAL . 54.9 t-20 -52.08 103.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.462 ' CG1' HD23 ' A' ' 77' ' ' LEU . 35.6 m -144.46 116.42 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -111.09 168.15 9.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.85 15.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -63.36 178.59 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -80.78 15.65 1.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -56.34 114.56 2.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.58 HD12 ' CE2' ' A' ' 37' ' ' TYR . 72.6 mt -63.87 142.38 58.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -131.34 175.85 8.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.2 ptm85 -165.56 169.67 15.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.513 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 30.0 t80 -112.14 139.0 21.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.513 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.5 Cg_endo -69.82 -173.57 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.252 . . . . 0.0 112.322 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 179.906 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 p -64.15 -51.45 63.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 110.851 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -103.09 174.42 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.89 -169.19 44.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.429 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.4 p -140.93 128.44 21.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 0.0 110.825 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -92.54 -56.61 2.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.9 55.13 0.58 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.559 ' CD2' ' HD2' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -63.35 -41.42 98.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.924 0.393 . . . . 0.0 110.972 -179.846 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.559 ' HD2' ' CD2' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -50.01 -38.73 38.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.87 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.1 -44.06 14.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.1 m -51.18 -44.3 61.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.103 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.1 tttt -50.07 -48.56 53.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 mt -73.74 -52.92 11.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 64.3 t-105 -45.24 -47.74 12.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -66.24 -58.66 4.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -44.69 -48.63 10.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.3 t -60.8 -58.99 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.4 p -48.88 -42.14 35.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.178 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.9 m -57.08 -52.08 66.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.0 m -63.96 -60.5 3.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -50.76 -56.17 13.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -46.84 -46.01 20.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -63.87 -42.3 97.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.441 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . -34.5 -76.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.594 ' N ' ' CD ' ' A' ' 26' ' ' PRO . 3.0 ttt 67.53 44.5 0.32 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.557 0.694 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 25' ' ' MET . 53.4 Cg_endo -69.78 126.95 13.89 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.9 mt -126.98 120.58 29.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.441 ' O ' ' NE2' ' A' ' 30' ' ' HIS . 9.8 ttm180 -119.09 167.28 11.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 30' ' ' HIS . 18.9 tptt -52.68 149.15 6.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.458 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 8.1 m80 -127.79 131.81 49.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -46.9 -41.32 15.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.533 ' OE1' ' CD2' ' A' ' 37' ' ' TYR . 26.2 mt-30 -52.64 141.9 19.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -117.8 15.42 14.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.803 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -88.49 177.85 6.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.7 ptpt -85.15 -28.69 25.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.606 ' O ' ' CG ' ' A' ' 37' ' ' TYR . 4.9 ptpt -52.31 179.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.606 ' CG ' ' O ' ' A' ' 36' ' ' LYS . 50.0 p90 48.34 38.55 10.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.499 ' C ' ' O ' ' A' ' 37' ' ' TYR . . . -30.04 -46.88 0.11 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.482 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -144.31 102.12 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.785 0.326 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.471 ' CB ' ' O ' ' A' ' 101' ' ' PHE . 64.2 m -137.68 155.53 49.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -118.54 127.7 53.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 81.7 p -67.51 133.19 49.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.23 -50.72 6.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.48 -53.08 13.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.436 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -56.1 -44.34 78.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.855 0.36 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.06 -37.6 72.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.4 ' O ' ' CB ' ' A' ' 51' ' ' TYR . 94.3 t -51.29 -44.79 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -75.44 -48.8 21.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.45 ' CD1' ' HG3' ' A' ' 26' ' ' PRO . 5.6 t-105 -51.09 -45.61 61.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.5 tp -78.29 -46.54 19.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.498 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 47.2 t80 -54.15 -60.89 2.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.51 -39.09 22.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.822 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.7 tp -64.46 -47.51 78.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 65.8 mt -61.23 -60.56 3.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.498 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 30.7 ptt85 -47.99 -43.71 29.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.458 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 18.1 t-20 -51.05 -37.02 42.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -80.21 150.49 30.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 59' ' ' ASN . 45.2 t -69.1 -48.5 62.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.468 ' C ' ' O ' ' A' ' 58' ' ' SER . 32.7 m-20 -32.96 -54.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -87.97 -51.7 5.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.53 172.64 47.12 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -13.83 35.15 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.241 . . . . 0.0 112.339 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -61.89 -36.07 80.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.3 p -52.58 138.45 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.1 t -114.45 173.16 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 69' ' ' THR . 12.2 mtm180 -53.57 -51.97 61.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' ARG . 0.8 OUTLIER -35.64 -52.89 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -58.55 -42.72 88.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 66' ' ' ARG . 88.9 m -55.55 -49.45 72.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 88.4 mt -57.77 -43.36 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -62.46 -45.94 90.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.7 tp -64.9 -47.5 77.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.0 tp -43.81 -45.69 7.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -47.62 -58.87 3.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -38.59 -57.94 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -40.57 -60.74 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.4 tp -53.19 -40.61 64.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -63.81 -39.93 95.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -79.29 10.76 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 63.77 32.84 13.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.409 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 95.8 t -83.61 -33.91 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.168 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 28.1 pt -144.23 127.92 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.452 ' CG ' ' HG3' ' A' ' 102' ' ' ARG . 17.3 pt-20 -109.42 153.41 24.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -74.11 161.69 29.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.443 HG21 ' N ' ' A' ' 86' ' ' LYS . 4.7 tp -39.97 -34.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.129 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.443 ' N ' HG21 ' A' ' 85' ' ' ILE . 7.4 mmpt? -84.63 -40.98 16.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 114.57 44.46 0.71 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -97.69 102.85 14.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 30.3 p-90 -110.47 177.32 4.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 59.41 39.23 94.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.453 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.515 ' O ' ' CG ' ' A' ' 92' ' ' GLU . 57.4 m -115.86 -30.11 6.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.348 . . . . 0.0 110.865 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 91' ' ' SER . 5.2 pt-20 49.81 32.59 5.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -131.25 104.79 7.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.2 m -141.85 156.58 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -133.38 177.95 7.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 20.9 t70 -81.25 15.17 2.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -61.04 178.3 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.84 17.58 20.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -58.03 132.18 52.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 73.6 mt -67.27 143.67 56.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.471 ' O ' ' CB ' ' A' ' 40' ' ' CYS . 24.6 m-85 -135.33 175.06 9.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.452 ' HG3' ' CG ' ' A' ' 83' ' ' GLU . 3.8 ptm85 -159.56 174.0 15.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.575 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 3.4 t80 -108.42 135.48 19.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.686 0.755 . . . . 0.0 110.855 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.575 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.7 Cg_endo -69.8 -172.67 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.049 179.885 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.4 t -84.15 109.46 17.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.837 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -129.18 171.05 12.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.834 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.46 60.82 0.26 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -123.03 145.34 48.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.927 0.394 . . . . 0.0 110.857 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 m -139.61 152.73 47.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.826 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.02 46.52 3.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' ARG . 22.8 p90 -74.86 -52.01 12.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.915 0.388 . . . . 0.0 110.936 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' TYR . 7.4 ptm180 -37.71 -44.46 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.77 -52.87 8.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.8 m -40.37 -60.76 1.03 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 13' ' ' LEU . 2.9 ttmp? -39.57 -57.89 1.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 12' ' ' LYS . 13.0 tp -36.9 -50.78 0.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.483 ' CZ2' ' ND2' ' A' ' 79' ' ' ASN . 53.2 t-105 -57.56 -51.47 69.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -56.76 -47.2 80.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -54.73 -44.11 73.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.9 t -64.29 -62.24 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.1 p -50.97 -39.73 56.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.3 m -59.8 -54.23 48.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.465 ' CB ' HD12 ' A' ' 53' ' ' LEU . 2.8 m -66.24 -56.06 13.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.413 ' O ' ' C ' ' A' ' 22' ' ' ARG . 34.6 t80 -46.74 -63.99 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.437 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 4.6 tmm_? -35.71 -60.34 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -60.22 -63.31 1.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . 34.55 -124.43 0.52 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.458 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.5 ptp -140.56 149.32 56.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.494 0.664 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 175.08 8.61 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.659 2.239 . . . . 0.0 112.338 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.429 HD13 ' C ' ' A' ' 39' ' ' ASN . 0.6 OUTLIER -92.92 118.17 30.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -68.83 -59.03 3.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.423 ' C ' ' HD2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -166.06 166.94 16.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 31' ' ' ARG . 4.9 m-70 -158.96 172.97 17.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' HIS . 24.4 mmt180 -38.15 -55.78 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.515 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 2.3 pp0? -58.49 171.78 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.46 ' N ' ' CD ' ' A' ' 32' ' ' GLN . 2.2 t60 -154.7 157.93 38.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.54 ' O ' ' CG ' ' A' ' 35' ' ' LYS . 27.7 t80 60.64 36.02 19.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.54 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 10.7 ptpt 51.34 34.38 11.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 35' ' ' LYS . 1.1 mtpm? -34.81 -49.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.515 ' CE2' ' HB3' ' A' ' 32' ' ' GLN . 2.1 m-85 -88.17 -68.09 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 162.15 42.14 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.429 ' C ' HD13 ' A' ' 27' ' ' LEU . 10.2 t30 64.01 45.29 4.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.934 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 25.0 p -105.01 164.12 12.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -129.05 157.17 42.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 81.4 p -79.67 163.61 24.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.132 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.6 -43.43 84.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.83 -63.28 3.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.534 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -46.01 -41.89 12.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.367 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.93 -44.24 91.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.434 ' CG1' ' HG3' ' A' ' 66' ' ' ARG . 71.5 t -49.13 -43.98 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -64.06 -49.87 70.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.494 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 2.5 t-105 -56.58 -49.43 74.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.486 ' CD2' HG21 ' A' ' 69' ' ' THR . 3.8 tt -63.16 -47.68 81.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -45.98 -59.45 2.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -53.64 -42.06 67.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.465 HD12 ' CB ' ' A' ' 20' ' ' SER . 27.9 tp -59.29 -42.06 90.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.456 HD11 ' CD2' ' A' ' 50' ' ' LEU . 78.1 mt -62.78 -63.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 10.1 ptm180 -49.31 -41.95 39.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.439 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -45.5 -37.88 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -71.68 177.07 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.1 t -95.62 -44.28 7.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -52.98 -52.65 57.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -70.97 -60.6 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.75 176.55 45.71 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.5 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -9.25 25.64 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.674 2.249 . . . . 0.0 112.381 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -68.73 -28.16 66.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.1 p -53.87 137.66 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.1 t -115.29 155.07 27.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.18 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.434 ' HG3' ' CG1' ' A' ' 47' ' ' VAL . 15.2 ttm105 -40.26 -52.58 2.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -38.55 -48.35 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -56.25 -44.4 79.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.486 HG21 ' CD2' ' A' ' 50' ' ' LEU . 25.8 m -54.6 -48.31 72.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 60.1 mt -59.3 -40.79 82.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -64.58 -52.64 56.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.3 tp -59.93 -41.75 92.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.8 tp -50.56 -41.36 54.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -47.71 -38.4 15.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 53.7 mttp -64.47 -45.91 85.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -48.66 -49.3 38.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 24.6 tp -67.96 -41.35 82.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 2.0 pttp -60.84 -32.78 72.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.483 ' ND2' ' CZ2' ' A' ' 14' ' ' TRP . 28.0 m-20 -88.1 6.55 35.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.56 ' CE1' ' CD2' ' A' ' 89' ' ' TRP . 6.2 t-160 65.07 35.03 8.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.805 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.1 t -81.51 -29.5 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.12 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 22.3 pt -139.43 125.68 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.424 ' CD ' ' HA2' ' A' ' 87' ' ' GLY . 6.4 tt0 -100.1 133.62 44.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.412 ' HA ' ' CD1' ' A' ' 101' ' ' PHE . 1.5 m-20 -54.9 177.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.8 tp -67.36 -32.12 55.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.077 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -83.59 -45.88 13.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.424 ' HA2' ' CD ' ' A' ' 83' ' ' GLU . . . 136.82 42.2 0.11 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.522 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -101.75 112.38 24.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.935 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.56 ' CD2' ' CE1' ' A' ' 80' ' ' HIS . 31.5 p-90 -133.56 149.03 51.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 106.91 -33.22 6.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.0 p -73.36 175.63 6.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -118.0 -21.74 8.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -53.54 101.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 24.0 m -140.77 107.84 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.417 ' HB3' ' ND2' ' A' ' 97' ' ' ASN . 2.2 m-20 -89.12 166.98 13.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.27 17.2 17.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.417 ' ND2' ' HB3' ' A' ' 95' ' ' ASP . 1.9 m-80 -91.68 -64.78 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 98' ' ' ASN . 0.1 OUTLIER -156.85 102.79 2.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -154.35 102.12 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 82.6 mt -65.87 138.96 58.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.412 ' CD1' ' HA ' ' A' ' 84' ' ' ASP . 29.4 m-85 -134.28 163.8 28.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.4 ptm85 -153.1 115.1 4.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.516 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 19.5 t80 -57.72 139.35 81.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.516 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.7 Cg_endo -69.72 164.11 35.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.668 2.246 . . . . 0.0 112.367 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.058 179.88 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.3 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.834 0.349 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -54.6 -55.83 25.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.451 HD21 ' CE1' ' A' ' 60' ' ' PHE . 32.5 tp -49.5 -60.13 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.972 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -46.84 -52.48 14.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -57.21 -48.2 79.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.27 -56.45 18.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.4 t -58.19 -58.21 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.6 p -50.28 -38.82 43.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.1 m -64.73 -42.71 95.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.125 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.49 ' OG ' HD21 ' A' ' 53' ' ' LEU . 80.7 p -70.71 -42.78 70.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.819 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' ' 21' ' ' PHE . 8.2 t80 -64.18 -57.19 10.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.4 ' CG ' ' CZ ' ' A' ' 103' ' ' PHE . 0.3 OUTLIER -41.89 -51.67 4.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -77.24 -64.06 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.459 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 87.8 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.819 0.342 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -145.08 141.19 28.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.0 p -69.81 138.93 53.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.542 ' HB2' ' HE2' ' A' ' 101' ' ' PHE . . . -45.42 -48.64 13.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.16 -66.81 0.85 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -41.75 -46.98 3.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 0.0 110.917 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.17 -44.32 79.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.644 HG21 ' HB2' ' A' ' 96' ' ' ASP . 88.0 t -43.99 -43.86 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -72.25 -55.37 7.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.589 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 2.4 t-105 -47.15 -43.38 20.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.3 tp -78.97 -51.11 10.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -47.01 -58.76 3.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -54.78 -40.78 69.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.49 HD21 ' OG ' ' A' ' 20' ' ' SER . 3.8 tp -63.73 -34.42 77.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.8 mt -70.14 -57.98 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.962 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -53.86 -42.39 68.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -46.69 -39.67 11.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -67.29 177.41 1.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.6 t -97.15 -38.2 9.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -53.79 -53.26 54.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.451 ' CE1' HD21 ' A' ' 13' ' ' LEU . 61.8 m-85 -80.55 -41.18 24.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.61 177.67 2.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -6.71 19.24 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -66.37 -29.63 69.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.78 130.96 29.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.1 t -108.95 164.72 12.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -45.0 -50.2 10.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -44.63 -48.19 10.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -57.67 -41.39 81.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.8 m -54.51 -53.32 55.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 34.7 mt -57.27 -43.01 81.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -60.51 -48.06 83.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.35 -48.02 77.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.6 tp -44.14 -42.9 6.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -46.37 -37.78 7.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -68.0 -41.73 81.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -51.98 -54.64 27.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 82' ' ' ILE . 20.3 tp -59.35 -38.07 79.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -66.7 -40.03 88.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -77.62 8.15 4.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 66.77 31.94 7.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.1 t -79.91 -35.14 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.419 ' O ' HD12 ' A' ' 77' ' ' LEU . 19.9 pt -141.21 124.09 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -100.28 143.72 30.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 84' ' ' ASP . 0.6 OUTLIER -60.01 169.69 1.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.43 HG23 ' N ' ' A' ' 86' ' ' LYS . 4.8 tt -62.26 -41.23 90.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.175 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.43 ' N ' HG23 ' A' ' 85' ' ' ILE . 20.5 mmtp -72.05 -48.77 41.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 134.95 36.56 0.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.525 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.4 ' O ' ' OD1' ' A' ' 84' ' ' ASP . 21.5 mmt180 -103.53 113.7 27.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.784 0.326 . . . . 0.0 110.849 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 29.3 p-90 -129.53 149.74 51.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 103.57 51.1 0.99 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.2 m -148.95 157.56 43.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 110.839 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -112.02 16.88 20.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -110.26 107.44 17.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.1 m -139.77 119.68 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -89.03 159.96 17.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.644 ' HB2' HG21 ' A' ' 47' ' ' VAL . 14.2 p-10 -113.56 15.97 18.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -86.2 -67.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -156.06 108.07 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -157.96 120.6 3.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 35.9 mt -80.26 127.71 32.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.542 ' HE2' ' HB2' ' A' ' 43' ' ' ALA . 36.9 m-85 -121.17 176.4 5.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.4 ptt85 -162.74 162.55 26.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.572 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 2.7 t80 -85.32 135.29 39.12 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.598 0.714 . . . . 0.0 110.938 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.572 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 54.4 Cg_endo -69.69 -174.93 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.707 2.271 . . . . 0.0 112.388 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.076 179.886 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.4 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.804 0.335 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -52.22 -43.96 64.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.6 tp -71.52 -58.62 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -49.93 -35.14 22.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -75.79 -25.47 56.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -79.64 -45.02 19.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.3 p -68.79 -32.84 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.164 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.3 p -75.55 -44.56 42.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.9 m -58.66 -48.81 79.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -68.23 -53.77 22.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.551 ' CD2' HD13 ' A' ' 50' ' ' LEU . 39.6 t80 -52.7 -52.37 56.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.407 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 1.5 tmt_? -40.11 -54.23 2.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.34 -63.37 1.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.937 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.449 ' SG ' HD13 ' A' ' 100' ' ' LEU . 19.6 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.821 0.343 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -126.36 142.4 51.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 68.0 p -62.33 143.11 57.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.613 ' HB2' ' CE1' ' A' ' 101' ' ' PHE . . . -55.85 -48.05 76.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.089 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.2 -56.22 3.37 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -50.33 -47.48 55.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 0.0 110.919 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.02 -45.04 71.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.09 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.7 t -43.48 -47.3 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -66.93 -45.86 76.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.596 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 1.5 t-105 -55.58 -51.09 68.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.551 HD13 ' CD2' ' A' ' 21' ' ' PHE . 25.9 tp -67.62 -38.53 84.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 85.9 t80 -51.62 -59.9 3.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.83 -50.95 59.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.2 tp -56.44 -43.16 79.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 69.7 mt -64.3 -64.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.565 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 14.2 ptt85 -48.51 -43.96 35.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.414 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 15.0 t-20 -45.38 -43.68 11.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -72.18 174.05 7.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' ASN . 57.8 m -89.0 -54.83 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' SER . 42.3 m-80 -35.43 -55.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -79.59 -41.18 27.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.662 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 61.12 174.31 1.28 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.506 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -16.07 37.68 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.354 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -60.62 -28.56 68.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 61' ' ' GLY . 14.8 p -61.7 133.41 27.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.3 p -116.69 166.74 11.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -42.48 -53.48 4.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -43.26 -53.31 5.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -63.18 -42.31 99.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 49.1 m -54.99 -45.8 75.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.6 mt -61.83 -49.8 82.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -49.25 -44.0 43.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 47.4 tp -66.49 -45.26 80.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.0 tp -42.88 -39.77 2.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.75 ' HG2' HG22 ' A' ' 94' ' ' VAL . 26.7 mtt-85 -50.68 -46.3 58.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -52.51 -56.46 15.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.565 ' HD2' HG11 ' A' ' 81' ' ' VAL . 81.6 m-85 -42.85 -60.09 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 82' ' ' ILE . 21.0 tp -52.67 -42.35 64.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.411 ' HD2' ' C ' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -63.36 -38.77 92.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.845 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -78.98 9.59 4.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.432 ' CG ' ' O ' ' A' ' 80' ' ' HIS . 2.0 t60 65.77 32.32 8.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.565 HG11 ' HD2' ' A' ' 76' ' ' PHE . 99.2 t -82.52 -37.03 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.496 ' O ' HD12 ' A' ' 77' ' ' LEU . 15.9 pt -140.19 126.26 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -102.38 151.45 22.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -81.41 154.36 26.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 86' ' ' LYS . 10.4 tt -43.28 -42.1 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.436 ' N ' HG23 ' A' ' 85' ' ' ILE . 47.3 mmtt -80.77 -43.79 19.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 127.65 53.86 0.13 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.454 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? -91.31 17.61 8.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 9.3 p-90 -59.79 150.23 28.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 102.09 -32.81 7.1 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.533 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 85.6 p -88.97 172.27 9.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.441 ' O ' ' NH1' ' A' ' 74' ' ' ARG . 16.9 pt-20 -117.97 17.55 14.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 65.1 t-20 -90.08 108.61 19.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.75 HG22 ' HG2' ' A' ' 74' ' ' ARG . 33.7 m -140.37 163.09 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.084 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 94' ' ' VAL . 4.3 m-20 -161.86 168.94 22.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.52 10.56 5.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -57.21 177.17 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -78.66 10.17 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -63.33 107.56 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.449 HD13 ' SG ' ' A' ' 40' ' ' CYS . 8.4 mt -60.26 166.38 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.613 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 33.0 m-85 -145.18 170.44 16.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -155.19 171.19 20.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.523 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 27.1 t80 -110.27 139.3 21.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.9 Cg_endo -69.76 155.85 64.85 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.688 2.258 . . . . 0.0 112.352 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.895 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.859 0.361 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -44.48 -28.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 mt -74.12 -58.16 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.575 ' O ' HG23 ' A' ' 18' ' ' THR . 62.0 t-105 -51.39 -41.86 60.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -64.16 -54.37 34.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -54.13 -46.7 72.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.4 t -60.15 -63.09 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 14' ' ' TRP . 74.3 p -44.27 -41.42 5.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.143 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.1 m -63.16 -59.09 5.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.453 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.1 m -49.19 -49.24 43.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.426 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 13.8 t80 -47.08 -62.02 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -51.71 -65.58 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -51.11 -27.32 8.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.535 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 99.2 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.866 0.365 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.417 ' O ' ' CD1' ' A' ' 41' ' ' PHE . 32.8 p90 -139.9 133.56 30.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 44.6 p -59.79 150.04 29.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.161 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.04 -51.47 69.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 45' ' ' GLU . . . -41.0 -69.48 0.5 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 44' ' ' GLY . 24.1 tt0 -36.06 -56.18 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.873 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.47 -46.93 9.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.078 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.46 ' CG1' ' HG3' ' A' ' 66' ' ' ARG . 65.3 t -45.65 -41.5 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -68.05 -52.65 32.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.595 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 1.1 t-105 -54.21 -54.4 40.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.8 tp -63.48 -48.17 78.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.682 ' HA ' HD12 ' A' ' 54' ' ' LEU . 64.4 t80 -50.61 -63.17 1.21 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -44.15 -46.55 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.87 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.453 HD21 ' HB2' ' A' ' 20' ' ' SER . 14.6 tp -61.98 -43.31 99.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 51' ' ' TYR . 13.9 mt -60.81 -56.02 26.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 9.5 ptm180 -57.68 -42.17 83.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.456 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 20.2 t-20 -50.1 -38.07 36.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -68.2 174.12 4.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.8 t -94.46 -51.71 4.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -38.8 -59.21 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -77.83 -42.23 34.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.601 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 66.66 178.96 10.01 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -16.18 37.27 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.644 2.229 . . . . 0.0 112.33 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -55.42 -35.72 65.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 61' ' ' GLY . 14.7 p -59.72 134.47 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 66' ' ' ARG . 14.8 t -115.84 162.84 16.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.46 ' HG3' ' CG1' ' A' ' 47' ' ' VAL . 23.9 ttt-85 -37.72 -49.81 1.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -41.02 -53.01 3.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.426 ' CB ' HG23 ' A' ' 64' ' ' VAL . 21.8 mm100 -54.69 -43.57 72.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.1 m -54.34 -49.43 69.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.189 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 62.1 mt -59.92 -41.27 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -65.14 -50.34 66.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.6 tp -61.25 -47.37 86.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.4 tp -43.53 -45.17 6.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -43.15 -37.32 2.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.436 ' HA ' ' HZ1' ' A' ' 78' ' ' LYS . 42.7 mttm -70.65 -39.66 73.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -53.25 -56.04 19.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.498 HD22 ' CG1' ' A' ' 94' ' ' VAL . 36.5 tp -55.02 -44.5 74.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.436 ' HZ1' ' HA ' ' A' ' 75' ' ' LYS . 7.3 ttpm? -62.96 -36.67 84.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -81.66 16.21 1.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.419 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 23.4 t-160 60.24 32.07 20.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 67.3 t -80.92 -36.54 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.6 pt -140.7 127.48 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -104.59 148.1 26.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.417 ' HA ' ' CD1' ' A' ' 101' ' ' PHE . 0.7 OUTLIER -63.37 174.81 1.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.4 tt -73.13 -29.75 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -83.78 -46.35 12.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 133.95 44.93 0.12 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.492 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -109.92 104.07 12.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 0.0 110.906 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.53 ' O ' ' CG ' ' A' ' 89' ' ' TRP . 7.6 p-90 -130.23 119.3 22.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 141.2 37.97 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.7 p -151.61 170.0 20.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 110.854 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -117.51 17.89 14.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -96.39 103.02 14.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.498 ' CG1' HD22 ' A' ' 77' ' ' LEU . 23.1 m -144.67 124.74 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.48 153.33 21.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -79.65 11.64 3.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -80.35 178.02 8.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.05 102.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -148.65 103.6 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 18.8 mt -59.36 137.41 58.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.417 ' CD1' ' HA ' ' A' ' 84' ' ' ASP . 10.8 m-85 -132.74 172.85 12.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -152.43 166.22 32.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.518 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 4.5 t80 -105.68 140.64 21.39 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.659 0.742 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.5 Cg_endo -69.85 178.4 4.67 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.287 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.884 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 12' ' ' LYS . 92.5 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.887 0.375 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 11' ' ' THR . 10.6 tmtt? -34.58 -62.42 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.83 HD21 ' CE1' ' A' ' 60' ' ' PHE . 12.1 tp -47.52 -68.01 0.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.572 ' O ' HG23 ' A' ' 18' ' ' THR . 6.8 t-105 -41.84 -45.46 3.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -62.56 -36.61 83.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 13' ' ' LEU . 4.5 tm-20 -68.24 -56.82 7.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 18' ' ' THR . 6.3 p -57.79 -44.91 86.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.644 HG22 ' CE1' ' A' ' 76' ' ' PHE . 58.8 p -62.87 -56.04 20.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.1 m -50.1 -53.61 26.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.9 m -58.0 -46.07 85.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -56.89 -46.89 81.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.822 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 103' ' ' PHE . 1.1 ttm180 -54.2 -64.69 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -55.32 -63.23 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 28.5 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.81 0.338 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -133.45 130.18 38.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.8 p -65.26 131.08 45.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.482 ' HB2' ' CE1' ' A' ' 101' ' ' PHE . . . -38.19 -50.76 1.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.07 -53.95 28.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -46.44 -48.77 18.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.9 0.381 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.56 -44.55 85.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.465 ' O ' ' CB ' ' A' ' 51' ' ' TYR . 89.2 t -44.13 -36.08 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -79.53 -56.0 4.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.458 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 2.2 t-105 -49.38 -54.33 17.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.412 HD23 ' CG2' ' A' ' 69' ' ' THR . 22.3 tp -66.38 -41.47 89.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.465 ' CB ' ' O ' ' A' ' 47' ' ' VAL . 12.7 t80 -51.64 -62.57 1.54 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -44.67 -45.02 9.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.1 tp -62.25 -40.73 97.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.64 -52.25 65.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -62.85 -37.78 88.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -59.07 -37.91 78.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -58.18 165.33 2.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 91.5 p -97.26 -37.03 10.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -55.15 -42.81 73.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.83 ' CE1' HD21 ' A' ' 13' ' ' LEU . 3.2 m-30 -88.95 -59.56 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.465 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 95.33 175.05 37.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.439 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -2.17 9.73 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.73 2.287 . . . . 0.0 112.322 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -76.02 -24.45 55.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.465 HG12 ' O ' ' A' ' 61' ' ' GLY . 13.6 p -62.21 126.96 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.054 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.4 p -116.29 169.28 9.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.425 ' CG ' HG11 ' A' ' 47' ' ' VAL . 22.5 ttm-85 -41.61 -49.15 4.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -43.77 -47.88 8.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -66.67 -41.65 87.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.412 ' CG2' HD23 ' A' ' 50' ' ' LEU . 27.8 m -56.87 -56.1 25.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 87.4 mt -52.58 -42.45 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -57.25 -47.59 80.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 53.5 tp -67.33 -40.45 85.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.0 tp -48.53 -35.01 12.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.48 ' HG3' ' CG2' ' A' ' 94' ' ' VAL . 10.7 mtt-85 -58.27 -46.9 85.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.814 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -53.22 -61.67 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.644 ' CE1' HG22 ' A' ' 18' ' ' THR . 22.7 m-85 -39.03 -58.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.59 HD12 ' O ' ' A' ' 82' ' ' ILE . 41.1 tp -47.49 -50.53 23.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -66.73 -28.13 68.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -83.31 15.89 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.537 ' HB2' ' CZ3' ' A' ' 89' ' ' TRP . 3.2 t-160 56.15 31.98 19.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.597 ' O ' ' CE1' ' A' ' 103' ' ' PHE . 93.5 t -88.04 -36.87 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.59 ' O ' HD12 ' A' ' 77' ' ' LEU . 5.5 pt -140.76 118.66 9.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -97.36 149.82 21.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.45 ' OD1' HG22 ' A' ' 85' ' ' ILE . 1.7 t70 -76.07 178.14 6.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.45 HG22 ' OD1' ' A' ' 84' ' ' ASP . 4.2 tp -71.84 -25.56 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -84.15 -48.07 10.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 132.06 47.35 0.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.433 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.538 ' O ' HD11 ' A' ' 77' ' ' LEU . 27.1 mmt-85 -123.34 111.84 16.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' A' ' 80' ' ' HIS . 31.6 p-90 -117.32 -35.78 3.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.39 70.78 3.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.518 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.4 p -162.44 161.57 27.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.843 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.443 ' O ' ' NH1' ' A' ' 74' ' ' ARG . 7.5 pt-20 -117.88 17.76 14.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -99.93 102.7 14.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.48 ' CG2' ' HG3' ' A' ' 74' ' ' ARG . 3.5 m -143.58 132.96 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -122.43 167.13 13.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.458 ' CG ' HG21 ' A' ' 47' ' ' VAL . 12.4 m-20 -82.21 16.29 2.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -63.95 178.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -77.69 10.28 2.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -53.0 117.69 3.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.7 153.6 41.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.482 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 26.7 m-85 -141.78 172.32 12.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.405 ' HB2' ' NH1' ' A' ' 102' ' ' ARG . 0.7 OUTLIER -160.69 171.35 19.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 81' ' ' VAL . 13.2 t80 -103.42 139.64 20.31 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.632 0.73 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.8 Cg_endo -69.75 178.72 4.28 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 2.238 . . . . 0.0 112.349 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.098 179.888 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 12' ' ' LYS . 63.1 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.87 0.367 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 11' ' ' THR . 22.5 tptt -37.66 -45.08 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.544 HD21 ' HE1' ' A' ' 60' ' ' PHE . 3.7 tt -62.0 -61.44 2.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.808 ' O ' HG23 ' A' ' 18' ' ' THR . 7.9 t-105 -49.83 -45.11 49.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -61.65 -39.92 93.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -65.89 -55.09 18.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 p -61.44 -36.57 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.808 HG23 ' O ' ' A' ' 14' ' ' TRP . 57.4 p -68.25 -43.13 78.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.9 m -66.52 -39.38 88.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.7 p -66.78 -50.64 62.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -44.97 -62.29 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -46.61 -63.75 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -53.55 -28.61 32.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.555 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 25.1 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.881 0.372 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -113.36 146.24 39.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.3 p -61.53 142.22 57.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.877 ' HB2' ' CE1' ' A' ' 101' ' ' PHE . . . -56.4 -47.47 78.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.073 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.62 -70.39 0.39 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.546 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -39.9 -54.59 2.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 43' ' ' ALA . . . -42.72 -44.12 4.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.469 HG11 ' CZ ' ' A' ' 66' ' ' ARG . 91.9 t -46.66 -43.98 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -70.37 -58.66 3.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.839 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.555 ' CZ2' ' HA3' ' A' ' 24' ' ' GLY . 2.6 t-105 -45.48 -45.91 13.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.7 tp -72.3 -46.5 55.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -55.47 -63.4 1.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -45.74 -38.61 7.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 tp -68.23 -44.09 76.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 57' ' ' ASN . 26.1 mt -65.47 -62.33 1.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -43.28 -36.36 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -69.94 -37.4 75.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 54' ' ' LEU . 2.7 m120 -63.47 155.24 29.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' ASN . 30.8 t -74.59 -59.06 2.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' SER . 20.7 m-80 -35.97 -60.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.544 ' HE1' HD21 ' A' ' 13' ' ' LEU . 57.6 m-85 -73.61 -45.95 49.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.18 163.91 10.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 2.96 3.08 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.622 2.215 . . . . 0.0 112.342 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -89.87 15.53 9.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.0 p -90.59 146.57 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.4 t -119.1 159.7 23.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 69' ' ' THR . 30.0 ttt85 -41.74 -57.93 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' ARG . 49.2 mt-30 -35.56 -55.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -56.7 -40.19 75.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 66' ' ' ARG . 28.7 m -59.98 -57.15 14.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.3 mt -52.33 -45.24 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -54.87 -57.49 11.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.7 tp -53.69 -43.57 69.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 tp -49.44 -42.73 43.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.854 ' HG2' HG22 ' A' ' 94' ' ' VAL . 57.2 mtt180 -51.95 -49.82 62.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.6 -57.88 7.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.602 ' HE1' HG22 ' A' ' 18' ' ' THR . 16.9 m-85 -41.06 -58.18 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.719 HD11 ' O ' ' A' ' 88' ' ' ARG . 4.0 tp -56.26 -30.55 62.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -73.95 -42.56 60.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -77.46 11.91 1.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 67.35 33.02 5.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.538 ' O ' ' CE1' ' A' ' 103' ' ' PHE . 93.7 t -86.21 -27.77 6.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.711 ' O ' HD12 ' A' ' 77' ' ' LEU . 10.9 pt -147.43 120.58 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.447 ' CG ' ' HG3' ' A' ' 102' ' ' ARG . 16.2 pt-20 -98.92 142.34 30.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.466 ' OD2' HG22 ' A' ' 85' ' ' ILE . 24.5 t70 -81.2 159.76 24.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.467 HG23 ' HD2' ' A' ' 86' ' ' LYS . 2.7 tp -39.76 -34.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.467 ' HD2' HG23 ' A' ' 85' ' ' ILE . 0.8 OUTLIER -76.68 -48.54 18.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.858 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 120.73 37.97 0.69 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.497 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.719 ' O ' HD11 ' A' ' 77' ' ' LEU . 73.3 mtm180 -102.22 104.64 15.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 110.896 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 16.9 p-90 -112.79 17.92 18.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -125.81 58.32 0.68 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.434 ' O ' HD23 ' A' ' 77' ' ' LEU . 13.6 p -161.67 158.51 26.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 110.856 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -117.41 17.95 14.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -99.34 102.75 14.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.854 HG22 ' HG2' ' A' ' 74' ' ' ARG . 33.7 m -140.43 129.09 25.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.126 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -117.78 168.3 10.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.55 12.2 2.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -54.16 178.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -78.88 11.64 2.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -57.15 135.47 56.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 25.9 mt -87.76 142.62 27.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.877 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 60.2 m-85 -130.61 153.9 48.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.447 ' HG3' ' CG ' ' A' ' 83' ' ' GLU . 7.4 ptm180 -142.58 175.1 10.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.538 ' CE1' ' O ' ' A' ' 81' ' ' VAL . 3.7 t80 -101.26 140.63 21.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.62 0.724 . . . . 0.0 110.94 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.7 Cg_endo -69.73 162.04 43.61 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.863 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.0 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.881 0.372 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.57 -43.66 8.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.553 HD21 ' CE1' ' A' ' 60' ' ' PHE . 31.1 tp -72.46 -63.26 1.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 38.1 t-105 -42.27 -37.27 1.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -71.1 -34.32 71.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 13' ' ' LEU . 7.6 mt-10 -70.89 -50.95 29.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 18' ' ' THR . 5.8 p -61.15 -42.86 94.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.422 ' N ' HG13 ' A' ' 17' ' ' VAL . 13.0 p -62.03 -48.13 81.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.3 m -57.23 -40.98 78.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 m -69.91 -57.75 4.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -53.47 -50.15 65.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.505 ' HG2' ' CE2' ' A' ' 103' ' ' PHE . 3.6 tmt_? -43.64 -57.74 3.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -67.93 -63.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.439 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 78.4 m . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.835 0.35 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -110.98 142.61 42.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.6 p -68.92 139.6 55.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.503 ' HB2' ' CE2' ' A' ' 101' ' ' PHE . . . -51.47 -45.81 62.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.082 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -45.97 -57.24 6.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -54.24 -43.65 71.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.819 0.342 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.66 80.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 43' ' ' ALA . 93.2 t -43.79 -43.96 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.078 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -72.13 -41.8 66.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.513 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 3.4 t-105 -59.47 -41.03 88.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.532 ' HG ' HD11 ' A' ' 54' ' ' LEU . 51.7 tp -79.24 -42.36 26.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -61.23 -43.02 99.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -68.73 -23.34 64.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.505 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 6.6 tp -85.52 -27.86 25.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.532 HD11 ' HG ' ' A' ' 50' ' ' LEU . 12.7 mt -80.81 -44.09 19.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.484 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 4.8 ptm180 -53.94 -38.53 65.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -65.34 -38.23 89.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 2.7 t-20 -62.18 152.91 31.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.3 m -80.56 -48.69 12.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -40.78 -58.59 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.553 ' CE1' HD21 ' A' ' 13' ' ' LEU . 88.0 m-85 -80.11 -50.33 10.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.49 172.15 48.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -6.92 19.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.634 2.223 . . . . 0.0 112.372 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -67.35 -22.25 65.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p -58.63 135.82 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' ARG . 13.2 t -126.25 162.89 24.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' THR . 18.5 mtm180 -37.49 -56.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -40.8 -63.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -52.3 -44.69 65.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.1 m -53.52 -50.1 66.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 48.9 mt -54.43 -46.9 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.125 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -60.14 -47.31 86.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 73' ' ' LEU . 65.6 tp -60.75 -56.09 25.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.578 HD23 HG21 ' A' ' 94' ' ' VAL . 10.1 tp -37.42 -43.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.494 ' HG2' HG22 ' A' ' 94' ' ' VAL . 77.3 mtt180 -46.37 -54.98 8.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -41.88 -52.56 4.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.558 ' HD2' HG11 ' A' ' 81' ' ' VAL . 77.5 m-85 -48.06 -57.72 5.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.724 HD21 ' HB2' ' A' ' 91' ' ' SER . 10.4 tp -56.53 -39.48 73.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -62.49 -42.13 99.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -79.93 12.47 2.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.7 t60 61.91 32.7 17.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.558 HG11 ' HD2' ' A' ' 76' ' ' PHE . 84.4 t -82.63 -29.05 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.154 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 34.5 pt -147.39 131.08 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.477 ' CG ' ' HG3' ' A' ' 102' ' ' ARG . 9.5 pt-20 -103.93 168.53 9.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.86 172.25 8.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.797 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.453 HG23 ' N ' ' A' ' 86' ' ' LYS . 3.4 tp -37.38 -49.7 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.453 ' N ' HG23 ' A' ' 85' ' ' ILE . 2.3 mptm? -68.67 -46.74 68.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 114.1 35.19 1.52 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.4 ptp85 -103.26 113.73 27.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 0.0 110.856 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 41.8 p-90 -101.15 176.98 5.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.31 44.19 52.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.724 ' HB2' HD21 ' A' ' 77' ' ' LEU . 69.1 m -116.49 -29.58 6.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 91' ' ' SER . 8.5 pt-20 48.65 31.91 3.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -132.52 104.79 6.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.578 HG21 HD23 ' A' ' 73' ' ' LEU . 35.4 m -139.97 170.45 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -160.81 175.59 12.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -80.48 11.62 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -66.34 178.03 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.02 12.03 3.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -55.05 102.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.942 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.1 mt -56.71 147.14 23.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.503 ' CE2' ' HB2' ' A' ' 43' ' ' ALA . 24.4 m-85 -136.01 174.91 10.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.477 ' HG3' ' CG ' ' A' ' 83' ' ' GLU . 14.5 ptm180 -168.05 157.12 9.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.53 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 6.2 t80 -87.01 140.12 32.73 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.696 0.76 . . . . 0.0 110.827 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.53 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.5 Cg_endo -69.75 158.75 55.89 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 179.835 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.475 HG23 ' N ' ' A' ' 12' ' ' LYS . 8.0 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.855 0.36 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.475 ' N ' HG23 ' A' ' 11' ' ' THR . 16.2 ttmt -41.51 -30.52 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.8 tp -64.84 -57.47 8.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.957 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.405 ' CZ2' ' CG ' ' A' ' 79' ' ' ASN . 34.4 t-105 -50.09 -43.77 51.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -66.46 -35.4 80.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.485 ' CD ' ' C ' ' A' ' 16' ' ' GLU . 2.2 tp10 -68.26 -58.69 4.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.6 t -47.4 -55.57 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.2 p -47.13 -46.96 23.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.193 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.1 m -56.52 -60.25 3.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 24' ' ' GLY . 3.9 m -45.89 -55.37 6.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -47.0 -61.39 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -52.03 -58.41 6.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.83 -24.0 61.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.047 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.453 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.776 ' HB2' HD22 ' A' ' 100' ' ' LEU . 59.5 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.853 0.359 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -118.45 135.71 54.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 72.8 p -56.16 131.31 47.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.193 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.788 ' HB2' ' CE2' ' A' ' 101' ' ' PHE . . . -43.8 -36.68 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.085 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -50.1 -48.78 38.55 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.539 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -52.75 -53.64 45.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -49.48 -45.03 46.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.0 t -43.02 -42.79 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -73.99 -59.8 2.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.593 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 0.9 OUTLIER -44.39 -58.89 2.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.67 -52.1 66.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -45.0 -65.75 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -41.29 -42.97 2.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.493 HD13 ' CH2' ' A' ' 49' ' ' TRP . 5.8 tp -65.22 -46.64 79.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 73.3 mt -58.05 -52.92 63.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 5.5 ptm180 -62.56 -38.69 91.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.449 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 4.7 m120 -57.65 -27.48 62.87 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -79.7 162.32 25.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' ASN . 2.4 t -85.25 -57.4 3.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 58' ' ' SER . 48.7 m-80 -34.68 -45.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -91.59 -40.08 11.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.03 178.23 13.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -0.64 7.26 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.253 . . . . 0.0 112.316 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -70.41 -32.98 70.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 64' ' ' VAL . 10.9 p -57.9 127.7 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 66' ' ' ARG . 14.2 t -118.87 167.33 11.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 65' ' ' THR . 20.5 mtm-85 -36.28 -53.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -46.83 -56.26 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -59.59 -40.24 86.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.8 m -57.74 -50.3 73.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.3 mt -58.96 -36.31 61.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -55.92 -44.57 78.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 42.7 tp -72.32 -33.35 67.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.5 tp -55.18 -41.11 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.688 ' HG2' HG22 ' A' ' 94' ' ' VAL . 27.6 mtt180 -55.53 -50.4 70.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -48.32 -57.49 5.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -41.42 -61.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.4 tp -46.24 -40.15 11.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.407 ' C ' ' HD2' ' A' ' 78' ' ' LYS . 0.5 OUTLIER -71.03 -34.17 71.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.405 ' CG ' ' CZ2' ' A' ' 14' ' ' TRP . 16.0 m120 -83.55 15.14 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.407 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 23.6 t-160 56.26 35.04 25.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.2 t -88.31 -29.13 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 18.2 pt -141.67 128.59 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.418 ' CG ' ' HG3' ' A' ' 102' ' ' ARG . 11.5 pt-20 -112.88 150.97 31.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -73.33 177.75 4.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.452 HD12 HD13 ' A' ' 100' ' ' LEU . 4.7 tt -50.09 -41.64 18.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.412 ' N ' HG23 ' A' ' 85' ' ' ILE . 10.2 mmmt -69.16 -44.86 71.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 107.6 30.51 4.03 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -102.52 118.91 37.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 29.1 p-90 -113.85 168.09 10.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 110.47 31.61 2.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.449 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.5 p -145.61 167.61 22.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.81 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 8.4 mm-40 -118.02 -15.42 9.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -58.26 102.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.688 HG22 ' HG2' ' A' ' 74' ' ' ARG . 28.6 m -139.81 123.42 18.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -124.36 162.59 23.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -77.62 8.32 4.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -56.47 178.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -75.45 7.09 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -52.18 115.78 1.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.776 HD22 ' HB2' ' A' ' 40' ' ' CYS . 17.2 mt -62.05 144.37 55.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.788 ' CE2' ' HB2' ' A' ' 43' ' ' ALA . 11.5 m-85 -137.94 161.28 37.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.418 ' HG3' ' CG ' ' A' ' 83' ' ' GLU . 10.5 ptm180 -159.13 170.3 22.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.55 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 2.9 t80 -100.6 135.26 20.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.642 0.734 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.55 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.9 Cg_endo -69.73 148.1 64.49 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.692 2.262 . . . . 0.0 112.365 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.085 179.904 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.492 HG23 ' N ' ' A' ' 12' ' ' LYS . 6.3 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.909 0.385 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.492 ' N ' HG23 ' A' ' 11' ' ' THR . 31.5 mmtt -41.69 -31.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.546 HD11 ' CE1' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -50.8 -55.94 14.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.894 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.41 ' CZ3' ' CE1' ' A' ' 76' ' ' PHE . 61.3 t-105 -53.9 -52.08 61.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -55.24 -42.24 73.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.0 -58.6 7.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.6 t -53.99 -62.18 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.7 p -45.34 -33.41 2.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.2 m -69.95 -46.43 65.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.073 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.512 ' OG ' HD21 ' A' ' 53' ' ' LEU . 52.0 p -67.72 -35.41 78.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.429 ' HD2' HD13 ' A' ' 50' ' ' LEU . 14.3 t80 -66.44 -53.93 29.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -41.94 -44.05 3.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.26 -61.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.41 ' HA2' ' CZ2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 90.6 m . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.855 0.36 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -133.97 126.42 30.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 76.3 p -59.8 158.43 10.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.561 ' O ' HG23 ' A' ' 47' ' ' VAL . . . -61.9 -39.24 91.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.47 -62.84 5.77 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -44.71 -49.53 10.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.57 -42.26 64.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 43' ' ' ALA . 94.8 t -48.62 -43.77 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -69.88 -57.81 4.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.603 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 1.8 t-105 -47.75 -47.36 30.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.429 HD13 ' HD2' ' A' ' 21' ' ' PHE . 26.7 tp -70.65 -54.67 11.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.564 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 7.3 t80 -46.12 -63.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.425 ' N ' ' CD2' ' A' ' 51' ' ' TYR . 1.7 t70 -46.77 -44.63 19.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.512 HD21 ' OG ' ' A' ' 20' ' ' SER . 4.2 tp -60.35 -49.27 78.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.499 HD22 ' CZ ' ' A' ' 60' ' ' PHE . 57.1 mt -59.5 -64.64 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.564 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 4.8 ptt180 -45.86 -32.95 2.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -57.13 -45.46 83.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -69.52 169.3 12.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.7 m -82.55 -42.6 18.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -40.14 -50.06 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.546 ' CE1' HD11 ' A' ' 13' ' ' LEU . 11.6 m-85 -90.81 -54.27 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.56 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 80.68 171.81 44.63 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 3.03 3.04 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.657 2.238 . . . . 0.0 112.34 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -80.06 -40.33 27.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 61' ' ' GLY . 14.7 p -53.23 137.12 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 66' ' ' ARG . 14.2 t -119.57 163.32 17.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 65' ' ' THR . 59.7 mtt180 -36.69 -53.87 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -37.56 -59.8 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -57.94 -43.03 86.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.1 m -53.38 -52.82 58.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 86.9 mt -57.96 -45.72 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.06 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -56.06 -42.1 76.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.3 tp -64.89 -48.07 75.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 76' ' ' PHE . 6.0 tp -43.4 -49.41 7.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -39.07 -42.09 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -66.27 -42.08 88.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 73' ' ' LEU . 3.2 m-85 -53.56 -54.84 31.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.62 HD22 ' CG1' ' A' ' 94' ' ' VAL . 36.6 tp -56.51 -33.2 65.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -75.09 -39.11 60.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -75.58 5.81 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 67.13 32.25 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 83.8 t -81.27 -34.03 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 31.1 pt -140.74 132.32 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.437 ' CD ' ' HA2' ' A' ' 87' ' ' GLY . 13.5 tt0 -109.92 143.7 39.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -63.73 158.8 20.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.469 HG23 ' HD3' ' A' ' 86' ' ' LYS . 2.4 tt -49.28 -43.06 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.469 ' HD3' HG23 ' A' ' 85' ' ' ILE . 11.0 mptt -70.36 -49.45 49.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.437 ' HA2' ' CD ' ' A' ' 83' ' ' GLU . . . 133.24 45.98 0.11 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -107.9 120.43 42.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 110.862 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 5.9 p-90 -141.59 154.34 45.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 108.03 -17.71 34.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.3 m -89.83 166.0 13.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.789 0.328 . . . . 0.0 110.851 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -117.77 17.13 14.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -94.38 102.2 14.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.62 ' CG1' HD22 ' A' ' 77' ' ' LEU . 27.5 m -147.81 135.52 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -152.18 148.71 27.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.442 ' C ' ' OD1' ' A' ' 96' ' ' ASP . 16.5 t0 -52.12 101.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -152.08 177.31 10.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.97 -7.65 37.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -53.64 102.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.04 167.1 5.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -143.03 177.88 8.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -161.37 160.86 30.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.522 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 32.4 t80 -101.36 139.28 20.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.628 0.728 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 54.2 Cg_endo -69.76 -177.78 2.03 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.667 2.245 . . . . 0.0 112.333 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.82 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.6 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.865 0.364 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -46.68 -46.06 19.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.8 tp -52.93 -57.16 11.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -51.15 -56.03 14.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -55.02 -42.35 72.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -57.87 -49.11 77.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.2 t -60.71 -60.68 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.735 HG22 ' CE2' ' A' ' 76' ' ' PHE . 77.0 p -44.64 -44.66 9.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.9 m -54.83 -58.66 6.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 m -58.51 -42.4 87.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.417 ' O ' ' C ' ' A' ' 22' ' ' ARG . 5.0 t80 -54.42 -53.95 47.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.454 ' HD2' ' CE2' ' A' ' 103' ' ' PHE . 14.8 ttt180 -37.27 -58.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.94 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -72.74 -63.93 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.045 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.624 ' CA ' ' CZ2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.431 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.549 ' SG ' HD13 ' A' ' 100' ' ' LEU . 19.2 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.822 0.344 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -154.21 141.01 19.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.3 p -56.11 151.36 12.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.161 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.505 ' HB2' ' CE2' ' A' ' 101' ' ' PHE . . . -66.71 -44.28 82.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.12 -51.53 11.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -55.19 -44.18 75.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.82 0.343 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.28 -40.31 61.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.432 ' O ' HG21 ' A' ' 69' ' ' THR . 65.8 t -50.07 -50.8 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -69.55 -48.56 59.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.624 ' CZ2' ' CA ' ' A' ' 24' ' ' GLY . 1.2 t-105 -50.59 -57.15 8.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.4 tp -66.36 -45.79 78.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -48.06 -54.13 14.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -57.73 -38.31 75.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 tp -66.01 -42.97 89.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.3 mt -64.38 -65.54 0.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.476 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 26.3 ptt85 -44.54 -46.15 9.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.476 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 19.4 t-20 -45.12 -45.26 11.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -70.23 155.4 40.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.5 p -72.4 -43.69 63.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -37.41 -60.45 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -83.75 -50.71 7.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.623 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 75.71 175.0 37.28 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -0.27 6.67 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.347 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -74.11 -31.47 62.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.623 HG12 ' O ' ' A' ' 61' ' ' GLY . 9.6 p -63.96 141.8 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.182 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.0 t -117.46 163.38 16.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 69' ' ' THR . 24.0 mtm180 -43.47 -56.82 3.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 66' ' ' ARG . 3.7 mp0 -34.28 -53.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -60.49 -41.99 95.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 66' ' ' ARG . 23.3 m -54.46 -53.71 50.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.3 mt -54.42 -44.85 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -57.04 -46.91 82.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.7 tp -64.84 -45.45 86.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.0 tp -42.99 -40.7 3.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -51.03 -52.77 39.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 78' ' ' LYS . 0.3 OUTLIER -45.0 -59.42 2.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.735 ' CE2' HG22 ' A' ' 18' ' ' THR . 84.1 m-85 -37.59 -43.57 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.713 HD22 ' CG1' ' A' ' 94' ' ' VAL . 41.6 tp -70.25 -40.38 74.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' LYS . 5.9 pttp -60.17 -34.75 74.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -86.2 4.3 39.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.712 ' CE1' ' CD2' ' A' ' 89' ' ' TRP . 4.2 t-160 66.81 32.9 6.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.4 t -79.24 -33.88 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.109 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 30.4 pt -132.23 131.34 60.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 84' ' ' ASP . 14.8 tt0 -108.03 151.24 26.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.427 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 0.7 OUTLIER -68.87 165.55 19.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.2 tt -68.22 -21.54 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.444 ' HA ' ' CE ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -90.03 -46.46 8.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.844 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 136.4 47.64 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -116.94 118.19 31.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.339 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.712 ' CD2' ' CE1' ' A' ' 80' ' ' HIS . 26.5 p-90 -139.61 150.58 45.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 96.28 44.4 3.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.549 ' O ' HD23 ' A' ' 77' ' ' LEU . 23.2 m -146.49 162.69 37.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.902 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -116.26 17.75 15.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -105.28 102.1 11.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.713 ' CG1' HD22 ' A' ' 77' ' ' LEU . 26.9 m -147.77 120.66 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.073 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -105.99 176.9 5.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.11 16.3 3.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -53.57 178.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.19 15.61 2.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -66.41 124.91 24.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.549 HD13 ' SG ' ' A' ' 40' ' ' CYS . 83.6 mt -77.59 141.68 39.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CE2' ' HB2' ' A' ' 43' ' ' ALA . 44.5 m-85 -127.89 157.07 41.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -135.64 177.1 8.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.535 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 5.9 t80 -117.63 140.35 27.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.722 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.535 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.8 Cg_endo -69.79 160.57 49.22 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.647 2.231 . . . . 0.0 112.36 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.877 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 12' ' ' LYS . 90.0 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.895 0.379 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' THR . 2.6 tppp? -37.12 -56.47 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 tt -46.92 -63.38 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.2 t-105 -46.68 -53.39 11.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -47.5 -50.97 22.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -49.46 -52.91 26.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.3 t -53.62 -58.4 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.156 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.7 p -53.9 -41.43 67.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.6 m -62.91 -62.92 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.1 m -53.72 -49.58 67.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -52.67 -47.54 67.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -41.38 -61.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -65.51 -63.85 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.539 ' HA3' ' CE2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.528 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.478 ' SG ' HD22 ' A' ' 100' ' ' LEU . 23.4 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.417 ' CE1' ' HA ' ' A' ' 102' ' ' ARG . 23.8 p90 -143.41 138.38 29.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.5 p -67.88 155.45 39.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.05 -46.92 63.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.121 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.88 -54.12 3.64 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -55.83 -41.86 74.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.65 -43.35 84.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.4 t -47.04 -46.15 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -67.07 -47.71 70.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.569 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 0.9 OUTLIER -56.37 -60.0 4.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.605 HD23 HG23 ' A' ' 69' ' ' THR . 27.3 tp -59.63 -45.06 93.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.424 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 37.4 t80 -55.62 -49.33 73.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -24.0 63.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.505 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 8.1 tp -82.09 -32.43 30.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.404 HD11 HD23 ' A' ' 72' ' ' LEU . 77.4 mt -80.41 -52.57 7.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.434 ' CG ' ' N ' ' A' ' 56' ' ' ASN . 32.8 ptt85 -50.89 -49.5 59.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.505 ' ND2' ' HA ' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -60.06 -40.64 90.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.496 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 13.3 t30 -56.78 157.94 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 t -85.68 -45.61 11.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -43.77 -60.61 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -79.44 -47.03 16.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.39 174.23 45.67 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -16.43 37.75 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -56.77 -24.35 49.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.0 p -60.99 137.74 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 59.7 p -114.2 169.62 8.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.599 ' O ' HD12 ' A' ' 70' ' ' ILE . 5.8 tpp85 -48.36 -57.16 6.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.597 ' HA ' HD13 ' A' ' 70' ' ' ILE . 3.4 tt0 -42.14 -55.74 3.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -43.84 -44.55 6.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.605 HG23 HD23 ' A' ' 50' ' ' LEU . 87.1 m -54.86 -64.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.076 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.778 ' H ' HD12 ' A' ' 70' ' ' ILE . 5.4 mp -40.84 -43.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -57.28 -57.48 12.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.404 HD23 HD11 ' A' ' 54' ' ' LEU . 13.3 tp -58.76 -45.54 89.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.447 HD23 ' CG2' ' A' ' 94' ' ' VAL . 10.3 tp -44.46 -40.54 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -51.45 -53.82 33.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -43.24 -56.6 3.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -39.32 -65.6 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.48 HD21 ' HB2' ' A' ' 91' ' ' SER . 58.4 tp -55.65 -39.9 71.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -34.4 74.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -92.64 17.69 9.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.54 ' HB2' ' CE3' ' A' ' 89' ' ' TRP . 2.0 t60 57.42 32.81 22.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 83.9 t -80.29 -34.81 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.121 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 16.4 pt -137.87 127.37 34.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.436 ' CD ' ' HA2' ' A' ' 87' ' ' GLY . 22.6 pt-20 -103.83 156.09 18.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.03 169.86 16.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.423 HD12 ' SG ' ' A' ' 40' ' ' CYS . 5.3 tt -43.14 -37.16 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -70.4 -49.63 46.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.436 ' HA2' ' CD ' ' A' ' 83' ' ' GLU . . . 120.72 32.42 1.11 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -107.04 144.34 33.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.54 ' CE3' ' HB2' ' A' ' 80' ' ' HIS . 66.0 p-90 -135.39 164.0 28.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 108.18 50.0 0.79 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.48 ' HB2' HD21 ' A' ' 77' ' ' LEU . 40.1 m -152.25 148.12 27.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.817 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -113.62 16.68 18.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -103.55 102.67 12.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 94' ' ' VAL . 34.8 m -153.95 116.79 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -109.95 177.65 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -82.56 14.88 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -77.31 178.04 7.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.42 106.56 3.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -152.98 112.72 3.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.478 HD22 ' SG ' ' A' ' 40' ' ' CYS . 99.4 mt -62.76 147.22 50.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -147.53 171.41 15.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.417 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 6.8 ptt180 -161.28 167.56 25.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.54 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 7.6 t80 -101.42 139.66 20.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.679 0.752 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.54 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.9 Cg_endo -69.76 -172.39 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.693 2.262 . . . . 0.0 112.323 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.878 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.2 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.876 0.369 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -50.06 -49.67 50.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.693 HD12 ' HE1' ' A' ' 60' ' ' PHE . 4.1 mm? -69.26 -58.87 3.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.778 ' O ' HG23 ' A' ' 18' ' ' THR . 43.4 t-105 -41.34 -46.99 3.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -63.34 -36.88 85.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 13' ' ' LEU . 44.0 mt-10 -71.94 -58.3 3.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 13' ' ' LEU . 2.7 p -54.96 -39.7 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.159 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.778 HG23 ' O ' ' A' ' 14' ' ' TRP . 41.2 p -63.23 -46.06 88.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.3 m -59.92 -50.57 73.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.58 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.8 m -61.43 -59.9 4.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.456 ' CD2' HD13 ' A' ' 50' ' ' LEU . 19.9 t80 -49.91 -48.58 51.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.415 ' HD2' ' C ' ' A' ' 22' ' ' ARG . 2.9 tmm_? -44.99 -54.95 5.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.479 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -72.06 -64.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.642 ' SG ' HD12 ' A' ' 85' ' ' ILE . 1.8 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.825 0.345 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 101' ' ' PHE . 4.9 p90 -153.63 158.82 41.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.4 p -80.57 151.19 29.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.125 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.457 ' O ' ' HB3' ' A' ' 46' ' ' ALA . . . -63.32 -53.9 45.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 43' ' ' ALA . . . -35.72 -65.83 0.44 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.12 -47.1 4.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.361 . . . . 0.0 110.927 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 43' ' ' ALA . . . -50.63 -48.16 58.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.067 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.0 t -40.99 -49.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.12 -50.39 68.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -52.67 -53.96 40.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.596 HD23 HG23 ' A' ' 69' ' ' THR . 14.3 tp -65.77 -59.09 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.442 ' CZ ' ' HD2' ' A' ' 55' ' ' ARG . 16.5 t80 -39.7 -61.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -48.55 -48.25 38.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.58 HD21 ' HB2' ' A' ' 20' ' ' SER . 11.0 tp -59.36 -43.98 92.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.472 HD21 HG21 ' A' ' 17' ' ' VAL . 41.1 mt -61.51 -60.36 3.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.454 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 13.3 ptm180 -52.03 -44.14 64.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.454 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 9.1 t-20 -45.39 -42.08 9.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -74.72 148.96 40.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 59' ' ' ASN . 44.4 m -66.32 -50.17 64.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 58' ' ' SER . 10.1 t-20 -33.84 -60.83 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.693 ' HE1' HD12 ' A' ' 13' ' ' LEU . 12.5 m-85 -79.18 -49.08 13.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.518 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 73.95 175.93 33.22 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.506 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -16.09 37.37 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -55.7 -38.65 69.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 61' ' ' GLY . 10.6 p -56.87 132.63 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.3 t -109.38 162.36 14.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.463 ' O ' HD12 ' A' ' 70' ' ' ILE . 11.7 ttt-85 -41.43 -52.42 3.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.435 ' HA ' HD13 ' A' ' 70' ' ' ILE . 8.1 tt0 -40.29 -62.69 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -41.0 -40.73 1.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.596 HG23 HD23 ' A' ' 50' ' ' LEU . 21.5 m -55.34 -65.15 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.721 ' H ' HD12 ' A' ' 70' ' ' ILE . 5.2 mp -39.01 -42.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -66.77 -45.82 77.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.7 tp -63.87 -54.15 39.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.4 tp -39.68 -45.14 1.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -43.01 -51.86 5.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -46.42 -56.29 6.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.677 ' HD2' HG11 ' A' ' 81' ' ' VAL . 63.7 m-85 -40.28 -60.75 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.416 HD11 ' HA ' ' A' ' 89' ' ' TRP . 12.5 tp -55.8 -36.05 66.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -63.36 -47.22 83.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -76.19 7.76 3.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 67.87 32.04 5.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.677 HG11 ' HD2' ' A' ' 76' ' ' PHE . 93.9 t -77.59 -29.32 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 23.7 pt -148.45 128.67 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -101.05 170.69 8.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -78.31 154.28 31.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.805 ' CD1' HD13 ' A' ' 100' ' ' LEU . 12.6 tt -38.72 -34.76 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -87.68 -42.56 12.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 130.26 50.77 0.11 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.44 ' HB3' ' NH1' ' A' ' 88' ' ' ARG . 16.3 mtp-105 -110.94 138.18 47.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.759 0.314 . . . . 0.0 110.891 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.416 ' HA ' HD11 ' A' ' 77' ' ' LEU . 11.3 p-90 -144.03 170.48 15.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 73.04 41.48 47.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.515 ' O ' ' CG ' ' A' ' 92' ' ' GLU . 52.9 m -117.96 -27.55 6.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.84 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 91' ' ' SER . 8.4 pt-20 48.82 32.05 3.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -130.17 102.59 6.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.1 m -145.73 124.49 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.02 175.79 5.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -81.99 12.47 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -82.42 178.11 8.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -68.36 102.76 1.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -149.16 107.56 3.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.805 HD13 ' CD1' ' A' ' 85' ' ' ILE . 77.2 mt -60.64 153.68 23.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 41' ' ' PHE . 29.2 m-85 -158.03 157.46 32.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.402 ' HD3' ' O ' ' A' ' 85' ' ' ILE . 6.7 ptt180 -148.98 149.16 30.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.562 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 2.6 t80 -84.02 134.21 44.24 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.652 0.739 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.562 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.8 Cg_endo -69.78 178.86 4.16 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.706 2.271 . . . . 0.0 112.325 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.897 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.1 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.865 0.364 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -50.15 -61.81 1.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.1 mt -43.7 -63.97 0.74 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.519 ' O ' HG23 ' A' ' 18' ' ' THR . 62.3 t-105 -45.95 -44.63 14.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -64.76 -30.2 71.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -75.75 -61.91 1.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 18' ' ' THR . 6.2 p -52.19 -42.21 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 14' ' ' TRP . 37.5 p -63.44 -46.29 86.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.5 m -63.45 -46.09 87.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.411 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 6.0 m -62.66 -45.28 93.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' ARG . 8.0 t80 -61.44 -59.8 4.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -35.05 -60.61 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -68.82 -33.91 74.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.086 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.576 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 83.3 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.893 0.378 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -153.15 158.0 41.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.1 p -76.3 145.8 39.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 44' ' ' GLY . . . -59.95 -57.9 10.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.084 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 43' ' ' ALA . . . -34.03 -64.83 0.35 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -44.83 -45.96 10.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.88 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 43' ' ' ALA . . . -54.57 -37.77 65.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.061 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.404 HG21 ' CB ' ' A' ' 96' ' ' ASP . 94.7 t -52.96 -48.89 51.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -65.7 -49.43 68.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.576 ' CZ2' ' HA3' ' A' ' 24' ' ' GLY . 1.1 t-105 -56.76 -62.82 1.47 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.412 HD23 HG23 ' A' ' 69' ' ' THR . 28.1 tp -51.24 -42.07 60.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -62.12 -48.55 79.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.55 -38.58 69.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.412 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 6.2 tp -68.6 -43.88 75.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.8 mt -60.77 -54.65 42.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -57.8 -41.42 82.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -57.05 -41.33 78.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -56.95 174.16 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 m -97.73 -48.34 5.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -46.66 -56.91 5.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -75.94 -39.91 55.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.502 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 67.63 175.06 8.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -7.15 20.31 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.651 2.234 . . . . 0.0 112.344 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -64.84 -36.53 84.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.502 HG12 ' O ' ' A' ' 61' ' ' GLY . 14.7 p -55.97 146.0 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 66' ' ' ARG . 15.2 t -130.85 166.2 21.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.435 ' NH1' ' HB3' ' A' ' 66' ' ' ARG . 13.9 ttp-105 -37.06 -47.96 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -39.0 -59.57 0.96 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -58.25 -40.45 81.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.412 HG23 HD23 ' A' ' 50' ' ' LEU . 49.1 m -56.76 -57.51 12.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 89.6 mt -55.39 -46.52 78.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.123 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -56.25 -42.72 77.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.448 ' HG ' ' CE2' ' A' ' 76' ' ' PHE . 49.9 tp -66.31 -46.5 76.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.1 tp -44.82 -41.76 7.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.471 ' HG3' ' CG2' ' A' ' 94' ' ' VAL . 47.7 mtt180 -59.3 -43.0 92.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -60.3 -58.38 8.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.452 ' CD1' ' CH2' ' A' ' 14' ' ' TRP . 14.4 m-85 -38.46 -59.77 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 82' ' ' ILE . 33.5 tp -49.06 -42.39 38.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.419 ' C ' ' HD2' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -63.17 -41.0 99.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.819 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.606 ' HB2' HG23 ' A' ' 81' ' ' VAL . 3.9 m120 -76.75 7.58 4.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.636 ' CE1' ' CZ3' ' A' ' 89' ' ' TRP . 3.2 t-160 66.27 32.29 7.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.606 HG23 ' HB2' ' A' ' 79' ' ' ASN . 96.3 t -82.67 -31.16 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.586 ' O ' HD12 ' A' ' 77' ' ' LEU . 10.9 pt -138.25 124.2 25.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -101.7 138.74 38.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.21 168.39 10.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.6 tp -59.26 -32.53 48.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -94.77 -39.71 10.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 121.85 52.1 0.23 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -94.03 17.42 12.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.751 0.31 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.636 ' CZ3' ' CE1' ' A' ' 80' ' ' HIS . 36.5 p-90 -57.76 148.02 26.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 113.04 -18.23 21.68 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.3 m -106.26 177.14 4.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 0.0 110.856 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -116.88 15.97 15.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -83.66 102.02 11.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.471 ' CG2' ' HG3' ' A' ' 74' ' ' ARG . 24.2 m -151.85 137.03 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.156 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -129.35 165.42 21.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.404 ' CB ' HG21 ' A' ' 47' ' ' VAL . 2.5 p30 -81.61 15.8 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -82.74 178.07 8.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.6 104.62 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -150.0 114.95 5.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 66.0 mt -69.24 136.13 51.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -130.04 174.21 9.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -154.58 174.87 14.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.48 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 2.7 t80 -103.35 136.7 19.18 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.659 0.742 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.48 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.9 Cg_endo -69.74 171.9 13.59 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.83 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.7 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.833 0.349 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -57.56 -47.49 81.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 17' ' ' VAL . 3.6 tt -58.01 -60.83 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.412 ' CH2' ' CD1' ' A' ' 76' ' ' PHE . 49.9 t-105 -54.84 -57.65 10.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -50.88 -34.42 28.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.4 ' O ' HG22 ' A' ' 19' ' ' THR . 21.0 mt-10 -67.19 -47.39 71.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 13' ' ' LEU . 39.8 t -64.36 -34.69 70.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.404 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 41.5 p -76.75 -47.31 22.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 16' ' ' GLU . 0.7 OUTLIER -59.85 -35.98 75.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.157 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -79.36 -59.44 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.43 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 8.4 t80 -54.26 -44.88 72.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.409 ' HD2' ' C ' ' A' ' 22' ' ' ARG . 1.9 tmm_? -52.85 -48.87 66.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.12 -64.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.59 ' HA2' ' CZ2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.46 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 97.7 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.827 0.346 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -138.43 125.99 22.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.7 p -62.67 164.08 8.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.82 ' O ' HG23 ' A' ' 47' ' ' VAL . . . -65.01 -47.11 78.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.084 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.91 -61.48 7.3 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.471 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -51.41 -49.78 60.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.876 0.37 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.27 -48.39 62.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 43' ' ' ALA . 97.3 t -39.91 -44.95 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -71.35 -46.13 61.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.59 ' CZ2' ' HA2' ' A' ' 24' ' ' GLY . 2.1 t-105 -54.69 -46.05 74.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.482 HD21 HD23 ' A' ' 72' ' ' LEU . 60.8 tp -72.13 -53.15 13.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.493 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 28.6 t80 -47.09 -58.26 4.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.445 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 1.8 t0 -48.07 -42.76 29.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.895 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 tp -66.53 -45.44 79.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 65.6 mt -60.27 -56.97 15.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.493 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 25.5 ptt180 -54.24 -38.38 65.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.465 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 2.8 t-20 -55.97 -38.98 71.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -69.35 170.6 10.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.3 t -86.78 -49.4 7.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.806 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -40.68 -54.22 2.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -84.32 -40.84 17.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.649 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 61.99 173.92 1.72 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.533 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 3.02 3.0 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.704 2.269 . . . . 0.0 112.352 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -78.76 -35.67 44.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.649 HG12 ' O ' ' A' ' 61' ' ' GLY . 7.3 p -55.75 138.73 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.2 p -107.12 171.56 7.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -52.99 -44.28 67.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -46.73 -55.36 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -51.91 -43.4 63.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 70.6 m -53.64 -52.87 58.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 74.8 mt -54.58 -44.5 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -52.08 -48.87 64.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.482 HD23 HD21 ' A' ' 50' ' ' LEU . 31.6 tp -60.18 -48.6 81.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.2 tp -42.79 -43.58 4.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.647 ' HG2' HG22 ' A' ' 94' ' ' VAL . 51.3 mtt180 -54.73 -54.69 38.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -49.41 -60.06 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.437 ' CE2' ' HG ' ' A' ' 72' ' ' LEU . 22.0 m-85 -41.11 -61.86 0.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.715 HD12 ' O ' ' A' ' 82' ' ' ILE . 14.8 tp -51.47 -39.77 58.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -66.1 -38.99 89.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -80.91 13.07 2.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.536 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 1.9 t60 63.0 32.1 15.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.411 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 78.2 t -83.96 -30.34 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.715 ' O ' HD12 ' A' ' 77' ' ' LEU . 22.1 pt -137.92 127.13 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -103.87 138.75 40.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -75.73 154.37 36.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 6.2 tt -54.98 -23.66 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -95.1 -42.01 8.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 117.81 52.26 0.32 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -105.0 17.69 23.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.33 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.423 ' HA ' HD11 ' A' ' 77' ' ' LEU . 19.6 p-90 -58.26 149.79 23.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 115.32 -38.81 2.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.483 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.7 m -82.05 171.74 14.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.841 0.353 . . . . 0.0 110.844 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -116.59 17.14 15.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -96.3 106.02 18.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.647 HG22 ' HG2' ' A' ' 74' ' ' ARG . 34.5 m -141.05 123.18 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -107.57 177.18 4.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.93 13.98 2.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.469 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 9.1 m120 -57.47 172.77 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -86.96 17.3 4.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.445 ' O ' ' CD1' ' A' ' 101' ' ' PHE . 55.5 mt-30 -58.41 108.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.6 mt -56.3 146.75 22.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.585 ' HE1' ' HB2' ' A' ' 43' ' ' ALA . 46.8 m-85 -131.14 164.25 25.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -157.8 132.78 8.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.555 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 3.0 t80 -73.94 135.67 77.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.6 0.714 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.555 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.7 Cg_endo -69.78 171.97 13.5 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.896 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.7 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.871 0.367 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.4 tptt -55.9 -60.75 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.3 tp -47.23 -49.37 23.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.46 ' CH2' ' CD1' ' A' ' 76' ' ' PHE . 30.9 t-105 -57.91 -46.19 85.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -59.06 -48.03 83.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -55.82 -49.86 72.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 78.2 t -61.5 -67.76 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.9 p -38.16 -45.85 0.99 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.3 m -61.0 -53.55 55.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.7 m -56.97 -58.85 6.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.412 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 8.3 t80 -46.8 -52.4 14.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.571 ' HD2' ' CE2' ' A' ' 103' ' ' PHE . 9.2 ttt-85 -43.43 -64.16 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -71.99 -63.82 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.587 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.406 ' SG ' HD13 ' A' ' 100' ' ' LEU . 6.4 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.848 0.356 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 101' ' ' PHE . 9.5 p90 -108.79 155.36 20.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.4 p -85.45 166.99 15.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.122 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.443 ' HB2' ' HE2' ' A' ' 101' ' ' PHE . . . -65.65 -59.4 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.35 -58.58 1.65 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.22 -54.45 20.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.36 . . . . 0.0 110.913 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -47.87 -46.77 31.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.07 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.1 t -45.01 -41.49 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -68.86 -60.5 2.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.589 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 0.8 OUTLIER -41.11 -59.22 1.55 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.571 HD21 HD23 ' A' ' 72' ' ' LEU . 60.9 tp -62.81 -50.78 69.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.517 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 38.9 t80 -43.66 -46.71 7.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -63.56 -46.65 84.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.514 HD13 ' CH2' ' A' ' 49' ' ' TRP . 8.1 tp -55.97 -35.83 67.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 46.4 mt -71.94 -63.69 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.517 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 41.9 ptt85 -51.89 -43.3 63.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -46.65 -43.26 17.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -73.21 172.3 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.2 t -86.46 -46.8 9.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -37.47 -54.83 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -85.14 -55.83 3.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.707 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 78.57 172.79 41.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 2.92 3.08 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -80.12 -27.34 39.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 61' ' ' GLY . 6.4 p -61.72 137.51 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.105 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.4 p -111.16 166.23 11.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.144 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -50.34 -48.18 55.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -43.33 -54.12 4.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -60.82 -37.24 81.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 98.5 m -59.98 -54.16 49.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 53.6 mt -55.85 -37.97 49.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -54.29 -46.06 72.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.571 HD23 HD21 ' A' ' 50' ' ' LEU . 58.3 tp -62.58 -50.17 72.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 tp -41.03 -41.36 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -52.82 -47.67 67.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 78' ' ' LYS . 20.2 mttp -57.1 -60.98 2.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.46 ' CD1' ' CH2' ' A' ' 14' ' ' TRP . 20.2 m-85 -38.79 -58.48 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.499 HD22 ' CG1' ' A' ' 94' ' ' VAL . 67.7 tp -51.52 -36.41 44.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 75' ' ' LYS . 16.6 mtmt -72.17 -37.88 69.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -79.07 7.94 6.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.679 ' CE1' ' CE2' ' A' ' 89' ' ' TRP . 4.8 t-160 64.25 32.19 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.81 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.499 ' O ' ' CE1' ' A' ' 103' ' ' PHE . 92.8 t -82.22 -34.38 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.5 pt -133.49 135.02 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -115.33 155.13 27.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 88' ' ' ARG . 2.9 p-10 -90.46 167.57 12.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.755 HG23 ' HD3' ' A' ' 86' ' ' LYS . 2.4 tt -52.93 -37.23 25.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.755 ' HD3' HG23 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -70.5 -50.11 41.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 121.29 29.96 1.38 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.405 ' O ' ' OD1' ' A' ' 84' ' ' ASP . 55.2 mtm180 -95.07 102.09 13.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.341 . . . . 0.0 110.871 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.679 ' CE2' ' CE1' ' A' ' 80' ' ' HIS . 8.9 p-90 -120.79 118.59 30.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 137.14 35.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.14 166.75 23.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 110.839 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.01 14.6 14.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -96.91 102.35 14.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.499 ' CG1' HD22 ' A' ' 77' ' ' LEU . 15.6 m -141.92 112.29 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -99.29 163.38 12.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 30.9 p30 -80.79 -0.51 39.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -65.33 175.07 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.489 ' CG ' ' O ' ' A' ' 98' ' ' ASN . 2.8 p-10 -66.09 107.74 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -151.15 108.95 3.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.406 HD13 ' SG ' ' A' ' 40' ' ' CYS . 66.9 mt -56.13 159.71 3.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.443 ' HE2' ' HB2' ' A' ' 43' ' ' ALA . 17.8 m-85 -152.35 172.59 16.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -165.22 163.12 20.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.571 ' CE2' ' HD2' ' A' ' 22' ' ' ARG . 4.6 t80 -107.68 140.58 21.7 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.539 ' HD2' ' CD2' ' A' ' 103' ' ' PHE . 53.3 Cg_endo -69.78 149.6 67.0 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.624 2.216 . . . . 0.0 112.361 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.879 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.457 HG22 ' ND2' ' A' ' 15' ' ' ASN . 73.4 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.834 0.35 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -43.92 -47.47 8.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.6 tp -56.21 -59.45 4.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.696 ' O ' HG23 ' A' ' 18' ' ' THR . 9.7 t-105 -52.91 -46.12 67.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.457 ' ND2' HG22 ' A' ' 11' ' ' THR . 31.1 m-20 -61.3 -39.2 89.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -65.58 -55.15 19.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 18' ' ' THR . 7.4 p -61.92 -42.42 94.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 14' ' ' TRP . 58.9 p -63.14 -46.52 86.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.3 m -59.53 -50.59 73.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 m -64.99 -58.27 6.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.525 ' CD1' HD13 ' A' ' 50' ' ' LEU . 37.8 t80 -44.27 -48.82 9.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.6 -64.92 0.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -68.78 -63.95 0.96 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.527 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.503 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.7 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.837 0.351 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.426 ' C ' HD23 ' A' ' 100' ' ' LEU . 9.9 p90 -134.8 136.69 42.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.459 ' N ' HD23 ' A' ' 100' ' ' LEU . 22.1 p -57.29 145.49 31.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.56 77.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.8 -49.47 3.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -59.57 -43.03 93.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.34 . . . . 0.0 110.823 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.85 98.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.5 t -47.82 -42.1 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -68.25 -56.35 8.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.646 ' CH2' HD13 ' A' ' 53' ' ' LEU . 1.3 t-105 -44.09 -54.34 5.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.525 HD13 ' CD1' ' A' ' 21' ' ' PHE . 36.7 tp -66.36 -60.94 2.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 50' ' ' LEU . 28.2 t80 -36.45 -47.68 0.63 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -58.15 -48.17 81.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.646 HD13 ' CH2' ' A' ' 49' ' ' TRP . 3.5 tp -62.94 -42.55 99.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 70.7 mt -61.24 -57.66 11.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 26.2 ptt180 -53.27 -40.01 64.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.441 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 12.7 t-20 -58.25 -52.21 66.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -59.14 162.95 4.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 t -83.15 -42.18 17.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -39.0 -64.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -80.07 -46.3 16.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.61 170.1 24.09 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -1.87 9.23 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.682 2.254 . . . . 0.0 112.312 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -85.94 17.96 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.435 HG23 ' HB2' ' A' ' 68' ' ' GLN . 8.2 p -92.07 143.12 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 66' ' ' ARG . 13.9 t -117.33 150.01 39.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 65' ' ' THR . 32.1 mtm180 -34.88 -43.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -51.78 -56.27 14.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.435 ' HB2' HG23 ' A' ' 64' ' ' VAL . 18.2 mm100 -53.35 -45.3 69.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.8 m -56.69 -54.34 47.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 58.8 mt -53.98 -41.15 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -57.61 -45.31 85.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.492 HD23 HD21 ' A' ' 50' ' ' LEU . 46.9 tp -64.26 -49.65 71.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.6 tp -47.37 -42.8 22.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.75 ' HG2' HG22 ' A' ' 94' ' ' VAL . 67.5 mtt85 -49.87 -50.87 44.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -52.24 -58.02 7.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.544 ' CE1' HG22 ' A' ' 18' ' ' THR . 20.7 m-85 -43.39 -55.69 3.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.712 HD12 ' O ' ' A' ' 82' ' ' ILE . 4.5 tp -56.38 -35.68 67.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.463 ' HD3' ' CG ' ' A' ' 92' ' ' GLU . 34.3 ttpt -72.1 -36.8 69.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -81.91 17.26 1.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.45 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 2.0 t60 61.17 32.1 19.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.448 HG12 HG23 ' A' ' 82' ' ' ILE . 52.9 t -84.25 -33.18 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.712 ' O ' HD12 ' A' ' 77' ' ' LEU . 8.3 pt -140.88 117.44 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -90.25 149.52 22.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -86.07 162.1 18.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.43 ' HA ' ' HD3' ' A' ' 102' ' ' ARG . 3.3 tt -49.03 -30.88 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -103.92 -35.89 7.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 117.99 68.72 0.36 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.8 mtm105 -108.5 17.69 21.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.779 0.323 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 23.4 p-90 -57.97 104.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 120.18 34.43 0.96 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.499 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.6 m -116.61 -16.63 10.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 110.836 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.463 ' CG ' ' HD3' ' A' ' 78' ' ' LYS . 35.7 mp0 53.45 41.86 32.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -145.73 102.43 3.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.75 HG22 ' HG2' ' A' ' 74' ' ' ARG . 28.7 m -138.09 146.49 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.434 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 16.7 m-20 -143.24 177.99 8.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -78.59 10.58 3.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.434 ' ND2' ' HB2' ' A' ' 95' ' ' ASP . 1.9 p30 -56.81 178.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.62 16.55 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -61.94 117.4 5.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.459 HD23 ' N ' ' A' ' 42' ' ' THR . 12.0 mt -79.07 138.76 38.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.483 ' HE2' HD13 ' A' ' 77' ' ' LEU . 44.2 m-85 -124.3 168.25 13.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.43 ' HD3' ' HA ' ' A' ' 85' ' ' ILE . 4.1 ptt85 -152.45 169.96 21.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.518 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 9.3 t80 -111.53 139.96 22.62 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.664 0.745 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.4 Cg_endo -69.8 149.31 66.45 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.279 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.845 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.8 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.872 0.368 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -63.04 -50.97 68.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.507 ' O ' HG12 ' A' ' 17' ' ' VAL . 11.8 mt -48.63 -53.5 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.555 ' O ' HG23 ' A' ' 18' ' ' THR . 30.6 t-105 -57.82 -41.79 82.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -63.16 -37.0 85.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.442 ' O ' HG22 ' A' ' 19' ' ' THR . 17.1 tt0 -71.25 -61.76 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 13' ' ' LEU . 6.6 p -50.45 -34.49 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.815 HG22 ' CE1' ' A' ' 76' ' ' PHE . 39.6 p -75.52 -53.38 8.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.442 HG22 ' O ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -57.8 -37.71 74.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.567 ' HB2' HD21 ' A' ' 53' ' ' LEU . 26.8 m -72.01 -56.81 4.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.437 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 18.9 t80 -44.19 -58.82 2.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 103' ' ' PHE . 4.6 ttm180 -44.26 -43.57 7.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -66.6 -32.79 74.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.515 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.854 0.359 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -125.16 130.58 52.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 70.0 p -70.43 137.09 50.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.156 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.431 ' O ' HG23 ' A' ' 47' ' ' VAL . . . -39.74 -48.25 2.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.26 -61.38 4.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -48.14 -45.21 32.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.22 81.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 43' ' ' ALA . 86.2 t -40.57 -44.98 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -71.64 -61.03 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.495 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 1.6 t-105 -43.95 -57.63 3.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.414 HD11 ' CG2' ' A' ' 17' ' ' VAL . 60.8 tp -62.26 -44.45 96.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.402 ' CB ' ' O ' ' A' ' 47' ' ' VAL . 15.9 t80 -53.71 -66.9 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -42.16 -42.63 3.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.567 HD21 ' HB2' ' A' ' 20' ' ' SER . 13.6 tp -65.28 -37.68 87.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.67 -60.62 2.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 7.6 ptm180 -50.41 -36.64 33.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.455 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 3.5 t-20 -50.38 -39.34 46.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -65.17 176.99 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.4 m -92.03 -40.89 10.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.404 ' CG ' HD11 ' A' ' 13' ' ' LEU . 10.4 m120 -57.77 -48.52 79.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -80.24 -42.68 22.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.562 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 52.44 -178.87 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -4.69 14.53 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.712 2.274 . . . . 0.0 112.282 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.05 -39.89 72.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 61' ' ' GLY . 13.7 p -52.63 147.51 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 66' ' ' ARG . 14.2 t -135.8 163.36 30.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 65' ' ' THR . 1.1 mpp_? -34.33 -51.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -40.31 -52.99 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -66.02 -45.44 81.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.1 m -52.78 -52.48 56.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.193 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 18.7 mt -57.81 -39.76 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -59.85 -41.33 91.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.0 tp -74.46 -39.99 62.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 tp -51.73 -34.02 37.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.553 ' HG2' HG22 ' A' ' 94' ' ' VAL . 25.5 mtt180 -61.35 -44.36 97.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -53.26 -48.9 67.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.815 ' CE1' HG22 ' A' ' 18' ' ' THR . 70.9 m-85 -48.87 -63.59 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.612 HD22 ' CG1' ' A' ' 94' ' ' VAL . 4.6 tp -49.63 -33.58 15.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -73.46 -38.78 65.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -77.69 6.55 7.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.6 t60 67.36 32.83 5.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.58 ' O ' ' CE1' ' A' ' 103' ' ' PHE . 83.3 t -85.89 -29.65 6.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.404 ' O ' HD12 ' A' ' 77' ' ' LEU . 21.8 pt -141.8 126.65 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.486 ' CG ' ' HG3' ' A' ' 102' ' ' ARG . 13.6 pt-20 -103.53 167.92 9.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -90.6 162.99 14.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.5 tp -41.7 -32.84 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -89.83 -41.16 11.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 128.17 38.87 0.36 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.467 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -94.34 117.41 30.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 57.9 p-90 -145.29 158.76 43.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 110.19 -35.48 4.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.558 ' O ' HD23 ' A' ' 77' ' ' LEU . 90.1 p -79.57 169.43 18.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.352 . . . . 0.0 110.837 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -117.29 17.82 14.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -90.68 104.93 17.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.612 ' CG1' HD22 ' A' ' 77' ' ' LEU . 35.5 m -152.05 146.64 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -139.62 178.05 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -80.31 13.14 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -58.4 178.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -85.88 17.93 3.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -59.67 125.92 25.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 43.7 mt -71.93 151.26 43.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -144.0 170.09 16.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.486 ' HG3' ' CG ' ' A' ' 83' ' ' GLU . 4.6 ptm85 -162.32 177.13 9.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.586 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 2.7 t80 -99.22 140.81 21.95 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.693 0.759 . . . . 0.0 110.807 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.586 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 54.0 Cg_endo -69.73 174.29 9.7 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.657 2.238 . . . . 0.0 112.353 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.855 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.9 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.831 0.348 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -51.57 -58.1 7.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.55 HD21 ' CE2' ' A' ' 60' ' ' PHE . 20.0 tp -53.4 -60.49 3.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.605 ' O ' HG23 ' A' ' 18' ' ' THR . 48.2 t-105 -48.87 -44.5 39.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -62.61 -33.46 75.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -75.44 -60.81 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.485 HG12 ' O ' ' A' ' 13' ' ' LEU . 3.4 p -52.04 -41.63 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 14' ' ' TRP . 44.3 p -64.84 -52.52 56.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.3 m -58.2 -52.16 66.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.6 m -60.13 -50.17 74.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -54.65 -57.65 10.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.577 ' HG3' ' CZ ' ' A' ' 103' ' ' PHE . 1.1 ttm180 -37.97 -63.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -64.74 -33.13 75.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.578 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 98.8 m . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.796 0.331 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -156.81 143.05 18.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.501 ' N ' HD23 ' A' ' 100' ' ' LEU . 64.1 p -62.05 142.65 57.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.123 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' GLY . . . -66.87 -46.6 74.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' ALA . . . -35.49 -59.0 0.85 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.519 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -57.61 -41.25 80.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.74 -45.1 78.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.9 t -48.05 -49.45 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -65.4 -46.87 78.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.585 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 1.2 t-105 -54.07 -55.19 29.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.3 tp -63.21 -50.58 69.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -49.24 -62.43 1.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -46.2 -45.43 16.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.581 HD13 ' CH2' ' A' ' 49' ' ' TRP . 8.3 tp -61.2 -42.7 99.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.34 -63.42 1.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 4.7 ptm180 -50.0 -36.83 30.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.468 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 23.7 t-20 -51.99 -34.94 44.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.4 ' ND2' ' HB2' ' A' ' 59' ' ' ASN . 62.2 t30 -78.89 172.76 13.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.6 m -84.51 -49.73 8.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.812 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.4 ' HB2' ' ND2' ' A' ' 57' ' ' ASN . 11.8 m-20 -42.0 -59.86 1.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.55 ' CE2' HD21 ' A' ' 13' ' ' LEU . 84.0 m-85 -75.06 -37.96 61.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.818 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.41 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 55.49 177.35 0.22 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -12.25 32.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.389 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.75 -37.22 86.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 61' ' ' GLY . 9.7 p -55.03 131.68 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.16 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.7 t -115.4 163.84 15.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 67' ' ' GLN . 12.1 ttm180 -40.57 -53.47 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' ARG . 36.8 mt-30 -34.33 -62.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -54.66 -42.75 71.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 66' ' ' ARG . 41.1 m -55.34 -51.21 67.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.472 HD13 ' OD1' ' A' ' 95' ' ' ASP . 84.7 mt -56.73 -44.11 80.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -60.93 -44.95 96.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 47.2 tp -62.22 -55.37 29.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.7 tp -38.99 -37.76 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.571 ' HG2' HG22 ' A' ' 94' ' ' VAL . 48.9 mtt180 -55.3 -57.21 12.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -41.07 -57.92 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.58 ' CE1' HG22 ' A' ' 18' ' ' THR . 19.3 m-85 -44.33 -52.31 7.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.543 HD21 ' HB3' ' A' ' 91' ' ' SER . 13.9 tp -54.51 -40.29 68.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.937 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -74.61 -30.71 61.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -81.44 14.83 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 58.72 32.15 21.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.597 ' O ' ' CE1' ' A' ' 103' ' ' PHE . 61.7 t -88.32 -33.39 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.7 pt -139.63 119.58 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.417 ' CG ' ' HG2' ' A' ' 102' ' ' ARG . 10.5 pt-20 -95.22 151.92 18.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.15 159.35 24.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 102' ' ' ARG . 3.9 tt -42.78 -26.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.03 -44.7 9.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 127.11 46.29 0.2 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.465 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -105.12 120.15 40.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.758 0.314 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 32.2 p-90 -118.01 16.48 14.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -146.99 52.92 0.55 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.543 ' HB3' HD21 ' A' ' 77' ' ' LEU . 1.1 t -111.3 -28.85 8.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 91' ' ' SER . 7.4 pt-20 48.76 32.05 3.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -136.55 105.42 5.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.571 HG22 ' HG2' ' A' ' 74' ' ' ARG . 17.4 m -142.99 161.43 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.472 ' OD1' HD13 ' A' ' 70' ' ' ILE . 23.3 t70 -163.9 177.99 8.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -74.5 5.29 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.4 ' ND2' ' HB3' ' A' ' 95' ' ' ASP . 55.2 m-20 -54.55 178.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -80.84 16.07 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -69.71 120.62 15.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.501 HD23 ' N ' ' A' ' 42' ' ' THR . 34.2 mt -75.41 165.48 25.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.546 ' CZ ' HG12 ' A' ' 94' ' ' VAL . 56.0 m-85 -156.13 163.11 40.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.437 ' HD3' ' HA ' ' A' ' 85' ' ' ILE . 1.3 ptt180 -149.85 172.77 14.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 81' ' ' VAL . 4.4 t80 -108.9 140.67 22.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.644 0.735 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.6 Cg_endo -69.69 149.79 67.79 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.819 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.5 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.854 0.359 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -59.24 -56.27 24.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.907 HD21 ' CE1' ' A' ' 60' ' ' PHE . 58.9 tp -60.6 -58.27 9.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 42.7 t-105 -46.25 -44.08 16.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -67.21 -38.13 84.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.69 -55.16 18.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.691 HG23 HD23 ' A' ' 53' ' ' LEU . 4.4 p -57.68 -42.69 82.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.166 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.407 ' N ' HG13 ' A' ' 17' ' ' VAL . 8.0 p -64.3 -52.48 58.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.9 m -45.95 -52.64 11.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.583 ' HB3' HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -60.15 -42.92 95.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.831 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.523 ' CZ ' HG21 ' A' ' 82' ' ' ILE . 37.2 t80 -50.79 -50.09 56.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.403 ' HD2' ' C ' ' A' ' 22' ' ' ARG . 5.2 tmm_? -46.9 -60.2 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.04 -63.65 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.06 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.549 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.7 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.874 0.369 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -130.71 137.33 49.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.5 p -70.03 142.11 52.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.644 ' HB2' ' CE2' ' A' ' 101' ' ' PHE . . . -49.97 -43.76 50.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -45.71 -54.16 8.02 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -54.6 -45.89 73.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.346 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -50.51 -35.82 31.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.542 ' O ' HG21 ' A' ' 69' ' ' THR . 99.4 t -54.41 -52.92 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -65.25 -50.34 66.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.679 ' CH2' HD13 ' A' ' 53' ' ' LEU . 1.5 t-105 -52.49 -47.64 66.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.3 tp -71.74 -40.11 69.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 51' ' ' TYR . 2.1 t80 -51.75 -53.12 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.977 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.524 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 2.7 t70 -55.65 -41.86 74.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.691 HD23 HG23 ' A' ' 17' ' ' VAL . 6.2 tp -60.78 -49.01 79.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.467 HD11 HD23 ' A' ' 72' ' ' LEU . 21.7 mt -70.3 -62.64 1.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.505 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -42.61 -39.68 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 52' ' ' ASP . 25.6 m-20 -65.71 -40.04 91.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -64.21 160.22 18.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.7 t -86.23 -44.88 11.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -41.79 -53.0 3.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.907 ' CE1' HD21 ' A' ' 13' ' ' LEU . 92.5 m-85 -86.71 -42.69 13.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 55' ' ' ARG . . . 81.14 168.67 40.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -13.92 35.23 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.721 2.281 . . . . 0.0 112.31 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -60.51 -20.92 61.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.1 p -54.7 133.99 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.4 p -123.0 166.16 15.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.452 ' NH1' ' HB3' ' A' ' 66' ' ' ARG . 17.0 ttp-105 -38.7 -53.96 1.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -48.77 -50.88 31.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.08 -47.55 85.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.542 HG21 ' O ' ' A' ' 47' ' ' VAL . 28.4 m -53.22 -46.02 68.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.1 mt -64.97 -44.58 96.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -52.51 -52.94 52.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.467 HD23 HD11 ' A' ' 54' ' ' LEU . 61.3 tp -60.48 -42.55 96.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.2 tp -46.17 -43.65 15.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.452 ' HG2' HG22 ' A' ' 94' ' ' VAL . 46.3 mtt180 -45.18 -45.2 11.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -56.3 -50.34 71.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -45.51 -63.12 1.03 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 25.1 tp -53.89 -35.44 61.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -66.32 -41.45 89.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -81.35 15.49 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.527 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 2.0 t60 57.74 32.37 21.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.1 t -81.25 -34.17 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.523 HG21 ' CZ ' ' A' ' 21' ' ' PHE . 20.0 pt -138.43 123.58 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -101.08 149.9 23.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.29 170.75 15.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.726 HG23 ' HD3' ' A' ' 86' ' ' LYS . 3.2 tp -59.25 -33.92 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.726 ' HD3' HG23 ' A' ' 85' ' ' ILE . 1.1 mppt? -85.93 -43.87 12.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 126.23 41.47 0.33 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.526 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -82.61 17.96 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.755 0.312 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -52.13 158.88 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.87 34.17 43.75 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 38.1 m -142.56 177.96 7.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.353 . . . . 0.0 110.877 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -117.53 -28.57 6.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -52.08 103.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 94' ' ' VAL . 35.6 m -144.46 116.42 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -111.09 168.15 9.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.85 15.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -63.36 178.59 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -80.78 15.65 1.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -56.34 114.56 2.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 72.6 mt -63.87 142.38 58.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.644 ' CE2' ' HB2' ' A' ' 43' ' ' ALA . 14.6 m-85 -131.34 175.85 8.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.2 ptm85 -165.56 169.67 15.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.516 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 30.0 t80 -112.14 139.0 21.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.516 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.5 Cg_endo -69.82 -173.57 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.252 . . . . 0.0 112.322 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 179.906 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.1 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.814 0.34 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.1 tttt -50.07 -48.56 53.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.509 ' O ' HG23 ' A' ' 17' ' ' VAL . 7.9 mt -73.74 -52.92 11.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.521 ' O ' HG23 ' A' ' 18' ' ' THR . 64.3 t-105 -45.24 -47.74 12.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -66.24 -58.66 4.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -44.69 -48.63 10.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 13' ' ' LEU . 58.3 t -60.8 -58.99 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 14' ' ' TRP . 58.4 p -48.88 -42.14 35.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.178 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.9 m -57.08 -52.08 66.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.744 ' HB2' HD21 ' A' ' 53' ' ' LEU . 21.0 m -63.96 -60.5 3.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -50.76 -56.17 13.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -46.84 -46.01 20.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -63.87 -42.3 97.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.458 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.471 ' CB ' ' O ' ' A' ' 101' ' ' PHE . 64.2 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.859 0.361 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -118.54 127.7 53.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 81.7 p -67.51 133.19 49.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.23 -50.72 6.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.48 -53.08 13.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.436 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -56.1 -44.34 78.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.855 0.36 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.06 -37.6 72.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.4 ' O ' ' CB ' ' A' ' 51' ' ' TYR . 94.3 t -51.29 -44.79 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -75.44 -48.8 21.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.458 ' CZ2' ' HA3' ' A' ' 24' ' ' GLY . 5.6 t-105 -51.09 -45.61 61.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.717 HD21 HD23 ' A' ' 72' ' ' LEU . 30.5 tp -78.29 -46.54 19.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.514 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 47.2 t80 -54.15 -60.89 2.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.51 -39.09 22.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.822 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.744 HD21 ' HB2' ' A' ' 20' ' ' SER . 17.7 tp -64.46 -47.51 78.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 65.8 mt -61.23 -60.56 3.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.514 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 30.7 ptt85 -47.99 -43.71 29.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.469 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 18.1 t-20 -51.05 -37.02 42.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -80.21 150.49 30.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 59' ' ' ASN . 45.2 t -69.1 -48.5 62.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.468 ' C ' ' O ' ' A' ' 58' ' ' SER . 8.3 m120 -32.96 -54.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -87.97 -51.7 5.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.627 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 81.53 172.64 47.12 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -13.83 35.15 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.241 . . . . 0.0 112.339 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -61.89 -36.07 80.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.627 HG12 ' O ' ' A' ' 61' ' ' GLY . 14.3 p -52.58 138.45 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.1 t -114.45 173.16 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 69' ' ' THR . 12.2 mtm180 -53.57 -51.97 61.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' ARG . 0.8 OUTLIER -35.64 -52.89 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -58.55 -42.72 88.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 66' ' ' ARG . 88.9 m -55.55 -49.45 72.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 88.4 mt -57.77 -43.36 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -62.46 -45.94 90.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.717 HD23 HD21 ' A' ' 50' ' ' LEU . 18.7 tp -64.9 -47.5 77.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.0 tp -43.81 -45.69 7.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.472 ' HG2' HG22 ' A' ' 94' ' ' VAL . 56.5 mtt180 -47.62 -58.87 3.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -38.59 -57.94 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.545 ' HD1' HG11 ' A' ' 81' ' ' VAL . 72.4 m-85 -40.57 -60.74 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.496 HD11 ' O ' ' A' ' 88' ' ' ARG . 11.4 tp -53.19 -40.61 64.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -63.81 -39.93 95.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -79.29 10.76 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 63.77 32.84 13.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.545 HG11 ' HD1' ' A' ' 76' ' ' PHE . 95.8 t -83.61 -33.91 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.168 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 28.1 pt -144.23 127.92 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.466 ' CG ' ' HG3' ' A' ' 102' ' ' ARG . 17.3 pt-20 -109.42 153.41 24.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.595 ' OD1' HG22 ' A' ' 85' ' ' ILE . 2.7 t70 -74.11 161.69 29.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.595 HG22 ' OD1' ' A' ' 84' ' ' ASP . 4.7 tp -39.97 -34.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.129 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -84.63 -40.98 16.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 114.57 44.46 0.71 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.496 ' O ' HD11 ' A' ' 77' ' ' LEU . 17.4 ptp180 -97.69 102.85 14.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 30.3 p-90 -110.47 177.32 4.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 59.41 39.23 94.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.453 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.515 ' O ' ' CG ' ' A' ' 92' ' ' GLU . 57.4 m -115.86 -30.11 6.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.348 . . . . 0.0 110.865 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 91' ' ' SER . 5.2 pt-20 49.81 32.59 5.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -131.25 104.79 7.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.472 HG22 ' HG2' ' A' ' 74' ' ' ARG . 32.2 m -141.85 156.58 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -133.38 177.95 7.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 20.9 t70 -81.25 15.17 2.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -61.04 178.3 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -99.84 17.58 20.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -58.03 132.18 52.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 73.6 mt -67.27 143.67 56.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.471 ' O ' ' CB ' ' A' ' 40' ' ' CYS . 24.6 m-85 -135.33 175.06 9.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.466 ' HG3' ' CG ' ' A' ' 83' ' ' GLU . 3.8 ptm85 -159.56 174.0 15.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.563 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 3.4 t80 -108.42 135.48 19.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.686 0.755 . . . . 0.0 110.855 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.563 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.7 Cg_endo -69.8 -172.67 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.049 179.885 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.8 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.876 0.37 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 13' ' ' LEU . 2.9 ttmp? -39.57 -57.89 1.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.509 ' O ' HG23 ' A' ' 17' ' ' VAL . 13.0 tp -36.9 -50.78 0.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.483 ' CZ2' ' ND2' ' A' ' 79' ' ' ASN . 53.2 t-105 -57.56 -51.47 69.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -56.76 -47.2 80.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -54.73 -44.11 73.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.608 HG12 ' HZ ' ' A' ' 76' ' ' PHE . 91.9 t -64.29 -62.24 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.1 p -50.97 -39.73 56.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.3 m -59.8 -54.23 48.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.443 ' HB3' HD13 ' A' ' 53' ' ' LEU . 2.8 m -66.24 -56.06 13.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.413 ' O ' ' C ' ' A' ' 22' ' ' ARG . 34.6 t80 -46.74 -63.99 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.463 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 4.6 tmm_? -35.71 -60.34 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -60.22 -63.31 1.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.458 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.442 ' SG ' HD22 ' A' ' 100' ' ' LEU . 25.0 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.855 0.359 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -129.05 157.17 42.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 81.4 p -79.67 163.61 24.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.132 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.6 -43.43 84.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.83 -63.28 3.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.534 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -46.01 -41.89 12.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.367 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.93 -44.24 91.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.713 HG21 ' HB2' ' A' ' 96' ' ' ASP . 71.5 t -49.13 -43.98 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -64.06 -49.87 70.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.494 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 2.5 t-105 -56.58 -49.43 74.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.916 HD22 HG23 ' A' ' 69' ' ' THR . 3.8 tt -63.16 -47.68 81.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -45.98 -59.45 2.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -53.64 -42.06 67.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.443 HD13 ' HB3' ' A' ' 20' ' ' SER . 27.9 tp -59.29 -42.06 90.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.549 ' HG ' HD23 ' A' ' 50' ' ' LEU . 78.1 mt -62.78 -63.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.45 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 10.1 ptm180 -49.31 -41.95 39.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.45 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 4.3 t-20 -45.5 -37.88 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -71.68 177.07 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.1 t -95.62 -44.28 7.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -52.98 -52.65 57.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -70.97 -60.6 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.75 176.55 45.71 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.5 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -9.25 25.64 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.674 2.249 . . . . 0.0 112.381 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -68.73 -28.16 66.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.1 p -53.87 137.66 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.434 HG23 ' HB2' ' A' ' 67' ' ' GLN . 14.1 t -115.29 155.07 27.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.18 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.486 ' HG3' HG11 ' A' ' 47' ' ' VAL . 15.2 ttm105 -40.26 -52.58 2.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.434 ' HB2' HG23 ' A' ' 65' ' ' THR . 33.1 mt-30 -38.55 -48.35 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -56.25 -44.4 79.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.916 HG23 HD22 ' A' ' 50' ' ' LEU . 25.8 m -54.6 -48.31 72.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 60.1 mt -59.3 -40.79 82.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -64.58 -52.64 56.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.76 HD23 HD21 ' A' ' 50' ' ' LEU . 24.3 tp -59.93 -41.75 92.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.8 tp -50.56 -41.36 54.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -47.71 -38.4 15.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 53.7 mttp -64.47 -45.91 85.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.608 ' HZ ' HG12 ' A' ' 17' ' ' VAL . 25.1 m-85 -48.66 -49.3 38.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.517 HD22 ' CG1' ' A' ' 94' ' ' VAL . 24.6 tp -67.96 -41.35 82.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 2.0 pttp -60.84 -32.78 72.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.483 ' ND2' ' CZ2' ' A' ' 14' ' ' TRP . 28.0 m-20 -88.1 6.55 35.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.56 ' CE1' ' CD2' ' A' ' 89' ' ' TRP . 6.2 t-160 65.07 35.03 8.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.805 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.1 t -81.51 -29.5 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.12 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 22.3 pt -139.43 125.68 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.438 ' CD ' ' HA2' ' A' ' 87' ' ' GLY . 6.4 tt0 -100.1 133.62 44.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.416 ' HA ' ' CD1' ' A' ' 101' ' ' PHE . 1.5 m-20 -54.9 177.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.411 HD13 ' SG ' ' A' ' 40' ' ' CYS . 3.8 tp -67.36 -32.12 55.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.077 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -83.59 -45.88 13.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.438 ' HA2' ' CD ' ' A' ' 83' ' ' GLU . . . 136.82 42.2 0.11 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.522 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -101.75 112.38 24.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.935 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.56 ' CD2' ' CE1' ' A' ' 80' ' ' HIS . 31.5 p-90 -133.56 149.03 51.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 106.91 -33.22 6.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.0 p -73.36 175.63 6.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.419 ' O ' HG22 ' A' ' 94' ' ' VAL . 36.5 mt-10 -118.0 -21.74 8.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -53.54 101.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 94' ' ' VAL . 24.0 m -140.77 107.84 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.12 166.98 13.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.713 ' HB2' HG21 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -114.27 17.2 17.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -91.68 -64.78 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 98' ' ' ASN . 10.5 p-10 -156.85 102.79 2.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -154.35 102.12 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.442 HD22 ' SG ' ' A' ' 40' ' ' CYS . 82.6 mt -65.87 138.96 58.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 84' ' ' ASP . 29.4 m-85 -134.28 163.8 28.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.408 ' NH1' ' HB2' ' A' ' 102' ' ' ARG . 1.4 ptm85 -153.1 115.1 4.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.869 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.518 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 19.5 t80 -57.72 139.35 81.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.7 Cg_endo -69.72 164.11 35.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.668 2.246 . . . . 0.0 112.367 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.058 179.88 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.6 p -145.24 124.98 13.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.884 0.373 . . . . 0.0 110.841 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.9 t -103.72 120.58 41.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.851 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.05 58.68 0.3 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -78.81 148.71 32.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.809 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 m -113.86 122.91 48.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.01 42.93 87.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -49.21 -41.6 37.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -54.84 -58.0 9.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.46 -43.4 98.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.3 m -57.89 -44.15 86.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -54.6 -55.83 25.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.451 HD21 ' CE1' ' A' ' 60' ' ' PHE . 32.5 tp -49.5 -60.13 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.972 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -46.84 -52.48 14.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -57.21 -48.2 79.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.27 -56.45 18.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.4 t -58.19 -58.21 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.6 p -50.28 -38.82 43.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.1 m -64.73 -42.71 95.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.125 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.49 ' OG ' HD21 ' A' ' 53' ' ' LEU . 80.7 p -70.71 -42.78 70.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.819 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' ' 21' ' ' PHE . 8.2 t80 -64.18 -57.19 10.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.4 ' CG ' ' CZ ' ' A' ' 103' ' ' PHE . 0.3 OUTLIER -41.89 -51.67 4.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -77.24 -64.06 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . 33.02 -109.99 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.459 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.2 mmt -110.44 154.38 43.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.533 0.682 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -50.86 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.0 mt -159.96 156.85 27.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.589 ' HB3' ' CE1' ' A' ' 30' ' ' HIS . 53.5 mtm-85 -129.38 144.24 51.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -86.19 107.62 17.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.589 ' CE1' ' HB3' ' A' ' 28' ' ' ARG . 28.9 m-70 -115.74 152.53 33.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.2 tpp180 -60.31 127.43 31.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -155.1 117.97 4.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -82.44 -41.69 19.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -84.56 173.06 11.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -106.07 -14.37 15.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -39.66 -45.18 1.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -122.4 166.33 14.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.52 -40.31 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -87.09 4.07 43.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 110.927 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 87.8 m -94.72 174.49 7.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.419 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 11.0 p90 -145.08 141.19 28.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.0 p -69.81 138.93 53.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.542 ' HB2' ' HE2' ' A' ' 101' ' ' PHE . . . -45.42 -48.64 13.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.16 -66.81 0.85 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -41.75 -46.98 3.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 0.0 110.917 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.17 -44.32 79.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.644 HG21 ' HB2' ' A' ' 96' ' ' ASP . 88.0 t -43.99 -43.86 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -72.25 -55.37 7.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.589 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 2.4 t-105 -47.15 -43.38 20.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.3 tp -78.97 -51.11 10.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -47.01 -58.76 3.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -54.78 -40.78 69.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.49 HD21 ' OG ' ' A' ' 20' ' ' SER . 3.8 tp -63.73 -34.42 77.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.8 mt -70.14 -57.98 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.962 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -53.86 -42.39 68.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -46.69 -39.67 11.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -67.29 177.41 1.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.6 t -97.15 -38.2 9.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -53.79 -53.26 54.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.451 ' CE1' HD21 ' A' ' 13' ' ' LEU . 61.8 m-85 -80.55 -41.18 24.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.61 177.67 2.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -6.71 19.24 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -66.37 -29.63 69.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.78 130.96 29.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.1 t -108.95 164.72 12.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -45.0 -50.2 10.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -44.63 -48.19 10.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -57.67 -41.39 81.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.8 m -54.51 -53.32 55.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 34.7 mt -57.27 -43.01 81.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -60.51 -48.06 83.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.35 -48.02 77.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.6 tp -44.14 -42.9 6.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -46.37 -37.78 7.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -68.0 -41.73 81.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -51.98 -54.64 27.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 82' ' ' ILE . 20.3 tp -59.35 -38.07 79.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -66.7 -40.03 88.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -77.62 8.15 4.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 66.77 31.94 7.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.1 t -79.91 -35.14 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.419 ' O ' HD12 ' A' ' 77' ' ' LEU . 19.9 pt -141.21 124.09 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -100.28 143.72 30.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 84' ' ' ASP . 0.6 OUTLIER -60.01 169.69 1.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.43 HG23 ' N ' ' A' ' 86' ' ' LYS . 4.8 tt -62.26 -41.23 90.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.175 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.43 ' N ' HG23 ' A' ' 85' ' ' ILE . 20.5 mmtp -72.05 -48.77 41.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 134.95 36.56 0.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.525 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.4 ' O ' ' OD1' ' A' ' 84' ' ' ASP . 21.5 mmt180 -103.53 113.7 27.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.784 0.326 . . . . 0.0 110.849 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 29.3 p-90 -129.53 149.74 51.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 103.57 51.1 0.99 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.2 m -148.95 157.56 43.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 110.839 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -112.02 16.88 20.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -110.26 107.44 17.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.1 m -139.77 119.68 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -89.03 159.96 17.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.644 ' HB2' HG21 ' A' ' 47' ' ' VAL . 14.2 p-10 -113.56 15.97 18.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -86.2 -67.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -156.06 108.07 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -157.96 120.6 3.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 35.9 mt -80.26 127.71 32.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.542 ' HE2' ' HB2' ' A' ' 43' ' ' ALA . 36.9 m-85 -121.17 176.4 5.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.4 ptt85 -162.74 162.55 26.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.572 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 2.7 t80 -85.32 135.29 39.12 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.598 0.714 . . . . 0.0 110.938 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.572 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 54.4 Cg_endo -69.69 -174.93 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.707 2.271 . . . . 0.0 112.388 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.076 179.886 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -130.81 159.11 38.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.912 0.387 . . . . 0.0 110.87 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -144.32 127.57 16.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.13 40.04 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -77.52 147.83 35.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 110.851 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.4 p -129.64 148.05 51.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.25 48.91 83.67 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -63.23 -44.87 94.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.38 . . . . 0.0 110.972 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -46.12 -49.78 16.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.89 -46.12 63.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.4 m -51.43 -46.12 62.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -52.22 -43.96 64.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.6 tp -71.52 -58.62 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -49.93 -35.14 22.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -75.79 -25.47 56.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -79.64 -45.02 19.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.3 p -68.79 -32.84 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.164 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.3 p -75.55 -44.56 42.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.9 m -58.66 -48.81 79.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -68.23 -53.77 22.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.551 ' CD2' HD13 ' A' ' 50' ' ' LEU . 39.6 t80 -52.7 -52.37 56.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.407 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 1.5 tmt_? -40.11 -54.23 2.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.34 -63.37 1.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 39.15 -132.35 1.89 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.1 tpt -96.01 136.69 21.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.584 0.707 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -178.16 2.21 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.37 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.413 HD22 ' O ' ' A' ' 39' ' ' ASN . 43.8 mt -62.98 136.87 58.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -140.17 156.85 46.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -66.1 141.36 58.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.475 ' HB2' ' NE2' ' A' ' 32' ' ' GLN . 0.9 OUTLIER -129.94 172.2 11.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' HIS . 4.6 mpt_? -37.82 -48.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.558 ' HG3' ' CD2' ' A' ' 37' ' ' TYR . 15.0 pm0 -64.18 160.3 18.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -95.36 143.45 26.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.823 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -39.39 -44.57 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -45.74 -60.12 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.55 -66.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.558 ' CD2' ' HG3' ' A' ' 32' ' ' GLN . 27.1 p90 -166.71 159.41 13.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.97 -43.26 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.413 ' O ' HD22 ' A' ' 27' ' ' LEU . 57.3 t-20 -52.05 -43.0 63.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.341 . . . . 0.0 110.929 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.449 ' SG ' HD13 ' A' ' 100' ' ' LEU . 19.6 p -77.8 149.28 34.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -126.36 142.4 51.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 68.0 p -62.33 143.11 57.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.613 ' HB2' ' CE1' ' A' ' 101' ' ' PHE . . . -55.85 -48.05 76.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.089 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.2 -56.22 3.37 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -50.33 -47.48 55.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 0.0 110.919 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.02 -45.04 71.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.09 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.7 t -43.48 -47.3 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -66.93 -45.86 76.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.596 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 1.5 t-105 -55.58 -51.09 68.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.551 HD13 ' CD2' ' A' ' 21' ' ' PHE . 25.9 tp -67.62 -38.53 84.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 85.9 t80 -51.62 -59.9 3.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.83 -50.95 59.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.2 tp -56.44 -43.16 79.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 69.7 mt -64.3 -64.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.565 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 14.2 ptt85 -48.51 -43.96 35.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.414 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 15.0 t-20 -45.38 -43.68 11.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -72.18 174.05 7.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' ASN . 57.8 m -89.0 -54.83 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' SER . 42.3 m-80 -35.43 -55.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -79.59 -41.18 27.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.662 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 61.12 174.31 1.28 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.506 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -16.07 37.68 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.354 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -60.62 -28.56 68.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 61' ' ' GLY . 14.8 p -61.7 133.41 27.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.3 p -116.69 166.74 11.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -42.48 -53.48 4.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -43.26 -53.31 5.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -63.18 -42.31 99.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 49.1 m -54.99 -45.8 75.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.6 mt -61.83 -49.8 82.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -49.25 -44.0 43.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 47.4 tp -66.49 -45.26 80.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.0 tp -42.88 -39.77 2.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.75 ' HG2' HG22 ' A' ' 94' ' ' VAL . 26.7 mtt-85 -50.68 -46.3 58.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -52.51 -56.46 15.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.565 ' HD2' HG11 ' A' ' 81' ' ' VAL . 81.6 m-85 -42.85 -60.09 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 82' ' ' ILE . 21.0 tp -52.67 -42.35 64.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.411 ' C ' ' HD2' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -63.36 -38.77 92.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.845 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -78.98 9.59 4.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.432 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 2.0 t60 65.77 32.32 8.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.565 HG11 ' HD2' ' A' ' 76' ' ' PHE . 99.2 t -82.52 -37.03 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.496 ' O ' HD12 ' A' ' 77' ' ' LEU . 15.9 pt -140.19 126.26 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -102.38 151.45 22.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -81.41 154.36 26.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 86' ' ' LYS . 10.4 tt -43.28 -42.1 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.436 ' N ' HG23 ' A' ' 85' ' ' ILE . 47.3 mmtt -80.77 -43.79 19.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 127.65 53.86 0.13 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.454 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? -91.31 17.61 8.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 9.3 p-90 -59.79 150.23 28.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 102.09 -32.81 7.1 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.533 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 85.6 p -88.97 172.27 9.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.441 ' O ' ' NH1' ' A' ' 74' ' ' ARG . 16.9 pt-20 -117.97 17.55 14.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 65.1 t-20 -90.08 108.61 19.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.75 HG22 ' HG2' ' A' ' 74' ' ' ARG . 33.7 m -140.37 163.09 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.084 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 94' ' ' VAL . 4.3 m-20 -161.86 168.94 22.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.52 10.56 5.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -57.21 177.17 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -78.66 10.17 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -63.33 107.56 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.449 HD13 ' SG ' ' A' ' 40' ' ' CYS . 8.4 mt -60.26 166.38 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.613 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 33.0 m-85 -145.18 170.44 16.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -155.19 171.19 20.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.523 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 27.1 t80 -110.27 139.3 21.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.9 Cg_endo -69.76 155.85 64.85 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.688 2.258 . . . . 0.0 112.352 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.895 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 1' ' ' GLY . 24.0 m -35.25 -43.92 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.89 0.376 . . . . 0.0 110.858 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.2 t -118.85 150.74 39.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.7 44.92 1.19 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.4 p -155.79 156.84 35.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 110.892 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 m -127.91 177.0 7.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.99 81.31 0.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.507 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -89.58 -54.4 4.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 110.943 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.7 mtm180 -84.25 -45.5 12.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -39.96 -56.03 1.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.07 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 t -69.71 -39.14 77.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.172 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -44.48 -28.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 mt -74.12 -58.16 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.575 ' O ' HG23 ' A' ' 18' ' ' THR . 62.0 t-105 -51.39 -41.86 60.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -64.16 -54.37 34.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -54.13 -46.7 72.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.4 t -60.15 -63.09 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 14' ' ' TRP . 74.3 p -44.27 -41.42 5.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.143 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.1 m -63.16 -59.09 5.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.453 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.1 m -49.19 -49.24 43.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.426 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 13.8 t80 -47.08 -62.02 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -51.71 -65.58 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -51.11 -27.32 8.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.535 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . -36.51 -86.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.2 ptm -120.46 133.92 24.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 179.56 3.6 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.664 2.243 . . . . 0.0 112.323 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.6 tp -87.49 118.1 26.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -123.15 146.16 48.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -57.76 165.44 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -114.8 170.46 8.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 -60.58 -24.02 65.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.408 ' OE1' ' O ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -55.85 102.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -62.16 -54.52 39.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.408 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 4.3 t80 -52.02 167.14 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 35' ' ' LYS . 1.9 mptt -94.35 16.57 14.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt -43.54 -38.47 2.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.441 ' C ' ' CD1' ' A' ' 37' ' ' TYR . 6.6 p90 -156.01 142.36 18.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.48 -117.54 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.466 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.2 m-20 -109.6 107.87 18.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.911 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 99.2 m -130.8 164.41 25.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.417 ' O ' ' CD1' ' A' ' 41' ' ' PHE . 32.8 p90 -139.9 133.56 30.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 44.6 p -59.79 150.04 29.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.161 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.04 -51.47 69.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 45' ' ' GLU . . . -41.0 -69.48 0.5 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 44' ' ' GLY . 24.1 tt0 -36.06 -56.18 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.873 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.47 -46.93 9.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.078 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.46 ' CG1' ' HG3' ' A' ' 66' ' ' ARG . 65.3 t -45.65 -41.5 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -68.05 -52.65 32.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.595 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 1.1 t-105 -54.21 -54.4 40.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.8 tp -63.48 -48.17 78.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.682 ' HA ' HD12 ' A' ' 54' ' ' LEU . 64.4 t80 -50.61 -63.17 1.21 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -44.15 -46.55 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.87 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.453 HD21 ' HB2' ' A' ' 20' ' ' SER . 14.6 tp -61.98 -43.31 99.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 51' ' ' TYR . 13.9 mt -60.81 -56.02 26.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 9.5 ptm180 -57.68 -42.17 83.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.456 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 20.2 t-20 -50.1 -38.07 36.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -68.2 174.12 4.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.8 t -94.46 -51.71 4.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -38.8 -59.21 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -77.83 -42.23 34.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.601 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 66.66 178.96 10.01 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -16.18 37.27 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.644 2.229 . . . . 0.0 112.33 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -55.42 -35.72 65.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 61' ' ' GLY . 14.7 p -59.72 134.47 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 66' ' ' ARG . 14.8 t -115.84 162.84 16.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.46 ' HG3' ' CG1' ' A' ' 47' ' ' VAL . 23.9 ttt-85 -37.72 -49.81 1.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -41.02 -53.01 3.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.426 ' CB ' HG23 ' A' ' 64' ' ' VAL . 21.8 mm100 -54.69 -43.57 72.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.1 m -54.34 -49.43 69.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.189 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 62.1 mt -59.92 -41.27 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -65.14 -50.34 66.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.6 tp -61.25 -47.37 86.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.4 tp -43.53 -45.17 6.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -43.15 -37.32 2.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.436 ' HA ' ' HZ1' ' A' ' 78' ' ' LYS . 42.7 mttm -70.65 -39.66 73.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -53.25 -56.04 19.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.498 HD22 ' CG1' ' A' ' 94' ' ' VAL . 36.5 tp -55.02 -44.5 74.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.436 ' HZ1' ' HA ' ' A' ' 75' ' ' LYS . 7.3 ttpm? -62.96 -36.67 84.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -81.66 16.21 1.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.419 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 23.4 t-160 60.24 32.07 20.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 67.3 t -80.92 -36.54 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.6 pt -140.7 127.48 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -104.59 148.1 26.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.417 ' HA ' ' CD1' ' A' ' 101' ' ' PHE . 0.7 OUTLIER -63.37 174.81 1.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.4 tt -73.13 -29.75 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -83.78 -46.35 12.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 133.95 44.93 0.12 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.492 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -109.92 104.07 12.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 0.0 110.906 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.53 ' O ' ' CG ' ' A' ' 89' ' ' TRP . 7.6 p-90 -130.23 119.3 22.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 141.2 37.97 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.7 p -151.61 170.0 20.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 110.854 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -117.51 17.89 14.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -96.39 103.02 14.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.498 ' CG1' HD22 ' A' ' 77' ' ' LEU . 23.1 m -144.67 124.74 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.48 153.33 21.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -79.65 11.64 3.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -80.35 178.02 8.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.05 102.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -148.65 103.6 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 18.8 mt -59.36 137.41 58.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.417 ' CD1' ' HA ' ' A' ' 84' ' ' ASP . 10.8 m-85 -132.74 172.85 12.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -152.43 166.22 32.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.518 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 4.5 t80 -105.68 140.64 21.39 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.659 0.742 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.5 Cg_endo -69.85 178.4 4.67 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.287 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.884 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.5 p -87.36 -43.64 11.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.364 . . . . 0.0 110.852 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.6 m -126.8 158.45 36.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.07 103.88 3.1 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.3 p -124.1 132.01 53.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.92 0.39 . . . . 0.0 110.856 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 m -103.37 -37.44 7.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.41 40.48 3.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.448 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -65.37 -48.73 71.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.857 0.361 . . . . 0.0 110.89 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -39.67 -47.85 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.1 -42.23 60.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 12' ' ' LYS . 92.5 m -50.5 -62.38 1.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 11' ' ' THR . 10.6 tmtt? -34.58 -62.42 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.83 HD21 ' CE1' ' A' ' 60' ' ' PHE . 12.1 tp -47.52 -68.01 0.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.572 ' O ' HG23 ' A' ' 18' ' ' THR . 6.8 t-105 -41.84 -45.46 3.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -62.56 -36.61 83.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 13' ' ' LEU . 4.5 tm-20 -68.24 -56.82 7.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 18' ' ' THR . 6.3 p -57.79 -44.91 86.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.644 HG22 ' CE1' ' A' ' 76' ' ' PHE . 58.8 p -62.87 -56.04 20.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.1 m -50.1 -53.61 26.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.9 m -58.0 -46.07 85.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -56.89 -46.89 81.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.822 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 103' ' ' PHE . 1.1 ttm180 -54.2 -64.69 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -55.32 -63.23 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . 34.47 -112.81 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.1 mmt -147.2 158.63 44.13 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.572 0.701 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -176.8 1.61 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.729 2.286 . . . . 0.0 112.313 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 27' ' ' LEU . 3.0 mp -119.41 110.06 16.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -97.66 -50.13 4.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.54 -67.69 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -61.2 114.68 3.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -143.52 123.81 13.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -156.86 153.72 28.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -54.19 137.27 41.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' LYS . 18.8 m-85 -48.58 -48.34 39.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -35.48 -50.88 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -80.65 -66.7 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -166.24 166.36 16.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.56 147.37 12.58 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.548 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 55.8 47.55 20.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.922 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 28.5 p -106.82 151.21 25.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -133.45 130.18 38.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.8 p -65.26 131.08 45.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.482 ' HB2' ' CE1' ' A' ' 101' ' ' PHE . . . -38.19 -50.76 1.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.07 -53.95 28.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -46.44 -48.77 18.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.9 0.381 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.56 -44.55 85.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.465 ' O ' ' CB ' ' A' ' 51' ' ' TYR . 89.2 t -44.13 -36.08 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -79.53 -56.0 4.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.458 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 2.2 t-105 -49.38 -54.33 17.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.412 HD23 ' CG2' ' A' ' 69' ' ' THR . 22.3 tp -66.38 -41.47 89.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.465 ' CB ' ' O ' ' A' ' 47' ' ' VAL . 12.7 t80 -51.64 -62.57 1.54 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -44.67 -45.02 9.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.1 tp -62.25 -40.73 97.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.64 -52.25 65.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -62.85 -37.78 88.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -59.07 -37.91 78.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -58.18 165.33 2.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 91.5 p -97.26 -37.03 10.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -55.15 -42.81 73.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.83 ' CE1' HD21 ' A' ' 13' ' ' LEU . 3.2 m-30 -88.95 -59.56 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.465 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 95.33 175.05 37.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.439 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -2.17 9.73 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.73 2.287 . . . . 0.0 112.322 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -76.02 -24.45 55.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.465 HG12 ' O ' ' A' ' 61' ' ' GLY . 13.6 p -62.21 126.96 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.054 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.4 p -116.29 169.28 9.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.425 ' CG ' HG11 ' A' ' 47' ' ' VAL . 22.5 ttm-85 -41.61 -49.15 4.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -43.77 -47.88 8.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -66.67 -41.65 87.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.412 ' CG2' HD23 ' A' ' 50' ' ' LEU . 27.8 m -56.87 -56.1 25.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 87.4 mt -52.58 -42.45 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -57.25 -47.59 80.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 53.5 tp -67.33 -40.45 85.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.0 tp -48.53 -35.01 12.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.48 ' HG3' ' CG2' ' A' ' 94' ' ' VAL . 10.7 mtt-85 -58.27 -46.9 85.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.814 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -53.22 -61.67 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.644 ' CE1' HG22 ' A' ' 18' ' ' THR . 22.7 m-85 -39.03 -58.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.59 HD12 ' O ' ' A' ' 82' ' ' ILE . 41.1 tp -47.49 -50.53 23.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -66.73 -28.13 68.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -83.31 15.89 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.537 ' HB2' ' CZ3' ' A' ' 89' ' ' TRP . 3.2 t-160 56.15 31.98 19.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.597 ' O ' ' CE1' ' A' ' 103' ' ' PHE . 93.5 t -88.04 -36.87 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.59 ' O ' HD12 ' A' ' 77' ' ' LEU . 5.5 pt -140.76 118.66 9.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -97.36 149.82 21.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.45 ' OD1' HG22 ' A' ' 85' ' ' ILE . 1.7 t70 -76.07 178.14 6.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.45 HG22 ' OD1' ' A' ' 84' ' ' ASP . 4.2 tp -71.84 -25.56 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -84.15 -48.07 10.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 132.06 47.35 0.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.433 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.538 ' O ' HD11 ' A' ' 77' ' ' LEU . 27.1 mmt-85 -123.34 111.84 16.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' A' ' 80' ' ' HIS . 31.6 p-90 -117.32 -35.78 3.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.39 70.78 3.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.518 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.4 p -162.44 161.57 27.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.843 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.443 ' O ' ' NH1' ' A' ' 74' ' ' ARG . 7.5 pt-20 -117.88 17.76 14.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -99.93 102.7 14.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.48 ' CG2' ' HG3' ' A' ' 74' ' ' ARG . 3.5 m -143.58 132.96 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -122.43 167.13 13.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.458 ' CG ' HG21 ' A' ' 47' ' ' VAL . 12.4 m-20 -82.21 16.29 2.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -63.95 178.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -77.69 10.28 2.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -53.0 117.69 3.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.7 153.6 41.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.482 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 26.7 m-85 -141.78 172.32 12.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.405 ' HB2' ' NH1' ' A' ' 102' ' ' ARG . 0.7 OUTLIER -160.69 171.35 19.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 81' ' ' VAL . 13.2 t80 -103.42 139.64 20.31 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.632 0.73 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.8 Cg_endo -69.75 178.72 4.28 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 2.238 . . . . 0.0 112.349 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.098 179.888 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m 60.9 43.23 12.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 110.864 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.3 t -98.93 158.89 15.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.18 43.54 2.27 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.537 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 p -113.3 126.05 54.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 110.885 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -103.93 132.85 49.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.831 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.11 91.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.495 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.468 ' C ' ' CD1' ' A' ' 8' ' ' TYR . 3.2 t80 -63.12 -59.68 4.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 110.919 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 10' ' ' ALA . 33.9 mmm-85 -41.79 -48.7 4.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.823 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 9' ' ' ARG . . . -35.85 -48.15 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 12' ' ' LYS . 63.1 p -52.4 -55.6 20.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 11' ' ' THR . 22.5 tptt -37.66 -45.08 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.544 HD21 ' HE1' ' A' ' 60' ' ' PHE . 3.7 tt -62.0 -61.44 2.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.808 ' O ' HG23 ' A' ' 18' ' ' THR . 7.9 t-105 -49.83 -45.11 49.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -61.65 -39.92 93.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -65.89 -55.09 18.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 p -61.44 -36.57 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.808 HG23 ' O ' ' A' ' 14' ' ' TRP . 57.4 p -68.25 -43.13 78.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.9 m -66.52 -39.38 88.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.7 p -66.78 -50.64 62.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -44.97 -62.29 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -46.61 -63.75 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -53.55 -28.61 32.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.555 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . -33.62 -43.99 0.29 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.551 ' N ' ' CD ' ' A' ' 26' ' ' PRO . 16.8 mtt 63.56 47.59 0.81 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.581 0.705 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 25' ' ' MET . 54.0 Cg_endo -69.71 6.24 1.37 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.721 2.281 . . . . 0.0 112.328 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.765 HD11 ' O ' ' A' ' 38' ' ' GLY . 13.2 tp -97.92 103.75 15.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -97.92 -67.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -153.99 174.07 15.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 31' ' ' ARG . 27.8 m-70 -152.91 122.62 6.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' HIS . 48.5 mtt-85 -35.65 -59.8 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.433 ' HG2' ' CZ ' ' A' ' 37' ' ' TYR . 2.9 mp0 -52.98 133.49 38.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -60.28 149.18 34.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.487 ' CG ' ' N ' ' A' ' 35' ' ' LYS . 3.5 p90 -50.99 -44.04 60.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.487 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 65.9 tttt -34.94 -45.88 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -84.11 -61.02 1.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.492 ' C ' ' CD1' ' A' ' 37' ' ' TYR . 3.3 p90 -168.03 166.1 13.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.765 ' O ' HD11 ' A' ' 27' ' ' LEU . . . 177.65 -37.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.62 ' HA ' HD21 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -57.71 -26.99 62.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.919 -179.894 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 25.1 p -83.99 136.98 33.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -113.36 146.24 39.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.3 p -61.53 142.22 57.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.877 ' HB2' ' CE1' ' A' ' 101' ' ' PHE . . . -56.4 -47.47 78.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.073 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.62 -70.39 0.39 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.546 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -39.9 -54.59 2.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 43' ' ' ALA . . . -42.72 -44.12 4.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.469 HG11 ' CZ ' ' A' ' 66' ' ' ARG . 91.9 t -46.66 -43.98 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -70.37 -58.66 3.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.839 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.555 ' CZ2' ' HA3' ' A' ' 24' ' ' GLY . 2.6 t-105 -45.48 -45.91 13.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.7 tp -72.3 -46.5 55.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -55.47 -63.4 1.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -45.74 -38.61 7.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 tp -68.23 -44.09 76.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 57' ' ' ASN . 26.1 mt -65.47 -62.33 1.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -43.28 -36.36 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -69.94 -37.4 75.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 54' ' ' LEU . 2.7 m120 -63.47 155.24 29.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' ASN . 30.8 t -74.59 -59.06 2.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' SER . 20.7 m-80 -35.97 -60.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.544 ' HE1' HD21 ' A' ' 13' ' ' LEU . 57.6 m-85 -73.61 -45.95 49.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.18 163.91 10.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 2.96 3.08 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.622 2.215 . . . . 0.0 112.342 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -89.87 15.53 9.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.0 p -90.59 146.57 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.4 t -119.1 159.7 23.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 69' ' ' THR . 30.0 ttt85 -41.74 -57.93 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' ARG . 49.2 mt-30 -35.56 -55.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -56.7 -40.19 75.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 66' ' ' ARG . 28.7 m -59.98 -57.15 14.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.3 mt -52.33 -45.24 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -54.87 -57.49 11.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.7 tp -53.69 -43.57 69.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 tp -49.44 -42.73 43.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.854 ' HG2' HG22 ' A' ' 94' ' ' VAL . 57.2 mtt180 -51.95 -49.82 62.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.6 -57.88 7.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.602 ' HE1' HG22 ' A' ' 18' ' ' THR . 16.9 m-85 -41.06 -58.18 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.719 HD11 ' O ' ' A' ' 88' ' ' ARG . 4.0 tp -56.26 -30.55 62.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -73.95 -42.56 60.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -77.46 11.91 1.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 67.35 33.02 5.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.538 ' O ' ' CE1' ' A' ' 103' ' ' PHE . 93.7 t -86.21 -27.77 6.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.711 ' O ' HD12 ' A' ' 77' ' ' LEU . 10.9 pt -147.43 120.58 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.447 ' CG ' ' HG3' ' A' ' 102' ' ' ARG . 16.2 pt-20 -98.92 142.34 30.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.466 ' OD2' HG22 ' A' ' 85' ' ' ILE . 24.5 t70 -81.2 159.76 24.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.467 HG23 ' HD2' ' A' ' 86' ' ' LYS . 2.7 tp -39.76 -34.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.467 ' HD2' HG23 ' A' ' 85' ' ' ILE . 0.8 OUTLIER -76.68 -48.54 18.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.858 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 120.73 37.97 0.69 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.497 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.719 ' O ' HD11 ' A' ' 77' ' ' LEU . 73.3 mtm180 -102.22 104.64 15.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 110.896 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 16.9 p-90 -112.79 17.92 18.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -125.81 58.32 0.68 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.434 ' O ' HD23 ' A' ' 77' ' ' LEU . 13.6 p -161.67 158.51 26.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 110.856 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -117.41 17.95 14.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -99.34 102.75 14.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.854 HG22 ' HG2' ' A' ' 74' ' ' ARG . 33.7 m -140.43 129.09 25.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.126 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -117.78 168.3 10.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.55 12.2 2.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -54.16 178.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -78.88 11.64 2.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -57.15 135.47 56.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 25.9 mt -87.76 142.62 27.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.877 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 60.2 m-85 -130.61 153.9 48.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.447 ' HG3' ' CG ' ' A' ' 83' ' ' GLU . 7.4 ptm180 -142.58 175.1 10.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.538 ' CE1' ' O ' ' A' ' 81' ' ' VAL . 3.7 t80 -101.26 140.63 21.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.62 0.724 . . . . 0.0 110.94 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.7 Cg_endo -69.73 162.04 43.61 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.863 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.6 t -79.04 -55.29 5.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -124.94 109.67 13.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.54 81.92 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 p -111.07 174.0 6.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.339 . . . . 0.0 110.891 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -105.24 142.18 35.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.79 58.53 5.42 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.481 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -51.7 -60.29 3.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.892 0.377 . . . . 0.0 110.925 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -37.17 -46.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.91 -46.25 45.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.0 m -40.94 -59.06 1.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.57 -43.66 8.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.553 HD21 ' CE1' ' A' ' 60' ' ' PHE . 31.1 tp -72.46 -63.26 1.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 38.1 t-105 -42.27 -37.27 1.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -71.1 -34.32 71.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 13' ' ' LEU . 7.6 mt-10 -70.89 -50.95 29.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 18' ' ' THR . 5.8 p -61.15 -42.86 94.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.422 ' N ' HG13 ' A' ' 17' ' ' VAL . 13.0 p -62.03 -48.13 81.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.3 m -57.23 -40.98 78.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 m -69.91 -57.75 4.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -53.47 -50.15 65.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.505 ' HG2' ' CE2' ' A' ' 103' ' ' PHE . 3.6 tmt_? -43.64 -57.74 3.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -67.93 -63.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . 34.22 -128.62 0.52 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.439 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 mmt -100.5 152.86 37.95 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.617 0.722 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.673 2.249 . . . . 0.0 112.337 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 tp -168.06 163.51 13.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 49.2 ttm-85 -132.35 148.16 52.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -65.48 126.9 29.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -114.95 165.85 12.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.84 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -53.43 -59.11 5.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 18.1 tp60 -82.81 162.37 21.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 34' ' ' PHE . 25.6 m-70 -63.45 121.94 15.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 35' ' ' LYS . 6.1 m-85 -35.4 -53.85 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' PHE . 32.7 tptt -33.82 -57.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.02 -56.61 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.42 ' CD1' ' CD1' ' A' ' 100' ' ' LEU . 6.5 m-85 -76.05 -64.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 116.13 57.14 0.33 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.7 t30 65.86 42.68 3.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 78.4 m -110.73 139.79 45.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -110.98 142.61 42.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.6 p -68.92 139.6 55.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.503 ' HB2' ' CE2' ' A' ' 101' ' ' PHE . . . -51.47 -45.81 62.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.082 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -45.97 -57.24 6.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -54.24 -43.65 71.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.819 0.342 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.66 80.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 43' ' ' ALA . 93.2 t -43.79 -43.96 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.078 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -72.13 -41.8 66.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.513 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 3.4 t-105 -59.47 -41.03 88.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.532 ' HG ' HD11 ' A' ' 54' ' ' LEU . 51.7 tp -79.24 -42.36 26.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -61.23 -43.02 99.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -68.73 -23.34 64.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.505 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 6.6 tp -85.52 -27.86 25.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.532 HD11 ' HG ' ' A' ' 50' ' ' LEU . 12.7 mt -80.81 -44.09 19.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.484 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 4.8 ptm180 -53.94 -38.53 65.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -65.34 -38.23 89.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 2.7 t-20 -62.18 152.91 31.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.3 m -80.56 -48.69 12.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -40.78 -58.59 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.553 ' CE1' HD21 ' A' ' 13' ' ' LEU . 88.0 m-85 -80.11 -50.33 10.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.49 172.15 48.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -6.92 19.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.634 2.223 . . . . 0.0 112.372 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -67.35 -22.25 65.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p -58.63 135.82 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' ARG . 13.2 t -126.25 162.89 24.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' THR . 18.5 mtm180 -37.49 -56.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -40.8 -63.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -52.3 -44.69 65.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.1 m -53.52 -50.1 66.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 48.9 mt -54.43 -46.9 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.125 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -60.14 -47.31 86.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 73' ' ' LEU . 65.6 tp -60.75 -56.09 25.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.578 HD23 HG21 ' A' ' 94' ' ' VAL . 10.1 tp -37.42 -43.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.494 ' HG2' HG22 ' A' ' 94' ' ' VAL . 77.3 mtt180 -46.37 -54.98 8.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -41.88 -52.56 4.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.558 ' HD2' HG11 ' A' ' 81' ' ' VAL . 77.5 m-85 -48.06 -57.72 5.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.724 HD21 ' HB2' ' A' ' 91' ' ' SER . 10.4 tp -56.53 -39.48 73.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -62.49 -42.13 99.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -79.93 12.47 2.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.7 t60 61.91 32.7 17.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.558 HG11 ' HD2' ' A' ' 76' ' ' PHE . 84.4 t -82.63 -29.05 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.154 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 34.5 pt -147.39 131.08 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.477 ' CG ' ' HG3' ' A' ' 102' ' ' ARG . 9.5 pt-20 -103.93 168.53 9.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.86 172.25 8.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.797 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.453 HG23 ' N ' ' A' ' 86' ' ' LYS . 3.4 tp -37.38 -49.7 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.453 ' N ' HG23 ' A' ' 85' ' ' ILE . 2.3 mptm? -68.67 -46.74 68.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 114.1 35.19 1.52 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.4 ptp85 -103.26 113.73 27.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 0.0 110.856 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 41.8 p-90 -101.15 176.98 5.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.31 44.19 52.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.724 ' HB2' HD21 ' A' ' 77' ' ' LEU . 69.1 m -116.49 -29.58 6.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 91' ' ' SER . 8.5 pt-20 48.65 31.91 3.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -132.52 104.79 6.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.578 HG21 HD23 ' A' ' 73' ' ' LEU . 35.4 m -139.97 170.45 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -160.81 175.59 12.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -80.48 11.62 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -66.34 178.03 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.02 12.03 3.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -55.05 102.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.942 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.42 ' CD1' ' CD1' ' A' ' 37' ' ' TYR . 27.1 mt -56.71 147.14 23.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.503 ' CE2' ' HB2' ' A' ' 43' ' ' ALA . 24.4 m-85 -136.01 174.91 10.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.477 ' HG3' ' CG ' ' A' ' 83' ' ' GLU . 14.5 ptm180 -168.05 157.12 9.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.53 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 6.2 t80 -87.01 140.12 32.73 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.696 0.76 . . . . 0.0 110.827 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.53 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.5 Cg_endo -69.75 158.75 55.89 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 179.835 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -143.96 146.1 32.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.8 p -76.57 132.3 39.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.44 109.32 0.13 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.444 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.4 p -88.31 -43.53 11.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.841 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -67.08 -46.77 73.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.453 ' HA3' ' HB3' ' A' ' 10' ' ' ALA . . . -147.02 84.66 0.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.486 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -39.94 -43.15 1.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.89 0.376 . . . . 0.0 110.942 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -89.54 -32.72 17.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.453 ' HB3' ' HA3' ' A' ' 7' ' ' GLY . . . -53.52 -44.37 69.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.107 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.475 HG23 ' N ' ' A' ' 12' ' ' LYS . 8.0 t -64.77 -45.24 87.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.475 ' N ' HG23 ' A' ' 11' ' ' THR . 16.2 ttmt -41.51 -30.52 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.8 tp -64.84 -57.47 8.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.957 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.405 ' CZ2' ' CG ' ' A' ' 79' ' ' ASN . 34.4 t-105 -50.09 -43.77 51.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -66.46 -35.4 80.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.485 ' CD ' ' C ' ' A' ' 16' ' ' GLU . 2.2 tp10 -68.26 -58.69 4.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.6 t -47.4 -55.57 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.2 p -47.13 -46.96 23.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.193 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.1 m -56.52 -60.25 3.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 24' ' ' GLY . 3.9 m -45.89 -55.37 6.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -47.0 -61.39 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -52.03 -58.41 6.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.83 -24.0 61.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.047 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.453 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . -39.19 -87.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.75 126.27 18.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.607 0.718 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 178.47 4.53 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.713 2.275 . . . . 0.0 112.369 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.6 mt -62.2 127.63 32.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -133.51 162.75 31.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -60.86 178.0 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -144.48 161.98 37.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -76.21 -25.16 54.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.402 ' CD ' ' OH ' ' A' ' 37' ' ' TYR . 4.0 mt-30 -62.81 159.31 16.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -52.01 167.12 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -82.11 -47.35 12.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -57.15 138.81 54.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.457 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 7.4 tmtm? 68.0 47.38 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.626 ' CE2' HD21 ' A' ' 100' ' ' LEU . 21.8 m-85 -155.19 161.17 41.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.27 70.11 0.19 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.5 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 53.12 33.29 14.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.79 0.329 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.776 ' HB2' HD22 ' A' ' 100' ' ' LEU . 59.5 m -101.35 143.93 30.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -118.45 135.71 54.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 72.8 p -56.16 131.31 47.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.193 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.788 ' HB2' ' CE2' ' A' ' 101' ' ' PHE . . . -43.8 -36.68 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.085 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -50.1 -48.78 38.55 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.539 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -52.75 -53.64 45.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -49.48 -45.03 46.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.0 t -43.02 -42.79 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -73.99 -59.8 2.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.593 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 0.9 OUTLIER -44.39 -58.89 2.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.67 -52.1 66.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -45.0 -65.75 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -41.29 -42.97 2.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.493 HD13 ' CH2' ' A' ' 49' ' ' TRP . 5.8 tp -65.22 -46.64 79.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 73.3 mt -58.05 -52.92 63.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 5.5 ptm180 -62.56 -38.69 91.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.449 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 4.7 m120 -57.65 -27.48 62.87 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -79.7 162.32 25.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' ASN . 2.4 t -85.25 -57.4 3.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 58' ' ' SER . 48.7 m-80 -34.68 -45.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -91.59 -40.08 11.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.03 178.23 13.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -0.64 7.26 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.253 . . . . 0.0 112.316 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -70.41 -32.98 70.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 64' ' ' VAL . 10.9 p -57.9 127.7 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 66' ' ' ARG . 14.2 t -118.87 167.33 11.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 65' ' ' THR . 20.5 mtm-85 -36.28 -53.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -46.83 -56.26 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -59.59 -40.24 86.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.8 m -57.74 -50.3 73.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.3 mt -58.96 -36.31 61.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -55.92 -44.57 78.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 42.7 tp -72.32 -33.35 67.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.5 tp -55.18 -41.11 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.688 ' HG2' HG22 ' A' ' 94' ' ' VAL . 27.6 mtt180 -55.53 -50.4 70.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -48.32 -57.49 5.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -41.42 -61.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.4 tp -46.24 -40.15 11.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.407 ' C ' ' HD2' ' A' ' 78' ' ' LYS . 0.5 OUTLIER -71.03 -34.17 71.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.405 ' CG ' ' CZ2' ' A' ' 14' ' ' TRP . 16.0 m120 -83.55 15.14 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.407 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 23.6 t-160 56.26 35.04 25.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.2 t -88.31 -29.13 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 18.2 pt -141.67 128.59 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.418 ' CG ' ' HG3' ' A' ' 102' ' ' ARG . 11.5 pt-20 -112.88 150.97 31.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -73.33 177.75 4.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.452 HD12 HD13 ' A' ' 100' ' ' LEU . 4.7 tt -50.09 -41.64 18.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.412 ' N ' HG23 ' A' ' 85' ' ' ILE . 10.2 mmmt -69.16 -44.86 71.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 107.6 30.51 4.03 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -102.52 118.91 37.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 29.1 p-90 -113.85 168.09 10.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 110.47 31.61 2.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.449 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.5 p -145.61 167.61 22.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.81 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 8.4 mm-40 -118.02 -15.42 9.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -58.26 102.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.688 HG22 ' HG2' ' A' ' 74' ' ' ARG . 28.6 m -139.81 123.42 18.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -124.36 162.59 23.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -77.62 8.32 4.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -56.47 178.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -75.45 7.09 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -52.18 115.78 1.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.776 HD22 ' HB2' ' A' ' 40' ' ' CYS . 17.2 mt -62.05 144.37 55.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.788 ' CE2' ' HB2' ' A' ' 43' ' ' ALA . 11.5 m-85 -137.94 161.28 37.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.418 ' HG3' ' CG ' ' A' ' 83' ' ' GLU . 10.5 ptm180 -159.13 170.3 22.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.55 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 2.9 t80 -100.6 135.26 20.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.642 0.734 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.55 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.9 Cg_endo -69.73 148.1 64.49 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.692 2.262 . . . . 0.0 112.365 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.085 179.904 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p -101.92 129.47 48.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.373 . . . . 0.0 110.826 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -47.32 -47.7 25.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.21 163.82 10.56 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -135.51 103.49 5.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 110.857 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -119.91 147.52 44.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.56 ' O ' HG22 ' A' ' 11' ' ' THR . . . 37.65 62.84 0.92 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -41.34 -48.88 3.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.89 0.376 . . . . 0.0 110.879 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -88.96 -44.05 10.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' HB3' ' HA3' ' A' ' 7' ' ' GLY . . . -41.18 -55.05 2.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 7' ' ' GLY . 6.3 t -54.43 -47.79 72.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.492 ' N ' HG23 ' A' ' 11' ' ' THR . 31.5 mmtt -41.69 -31.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.546 HD11 ' CE1' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -50.8 -55.94 14.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.894 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.41 ' CZ3' ' CE1' ' A' ' 76' ' ' PHE . 61.3 t-105 -53.9 -52.08 61.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -55.24 -42.24 73.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.0 -58.6 7.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.6 t -53.99 -62.18 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.7 p -45.34 -33.41 2.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.2 m -69.95 -46.43 65.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.073 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.512 ' OG ' HD21 ' A' ' 53' ' ' LEU . 52.0 p -67.72 -35.41 78.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.429 ' HD2' HD13 ' A' ' 50' ' ' LEU . 14.3 t80 -66.44 -53.93 29.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -41.94 -44.05 3.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.26 -61.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.41 ' HA2' ' CZ2' ' A' ' 49' ' ' TRP . . . 40.8 -138.42 1.63 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -115.93 154.42 48.32 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.606 0.717 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 164.44 34.55 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.722 2.281 . . . . 0.0 112.305 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.491 ' H ' HD12 ' A' ' 27' ' ' LEU . 4.0 mp -71.49 132.06 44.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.9 mmp_? -87.23 -58.84 2.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -159.89 160.18 33.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -116.05 152.82 32.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -55.7 -42.37 75.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . 11.6 tp60 -62.27 104.19 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -38.33 -63.67 0.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.407 ' CZ ' ' HD2' ' A' ' 36' ' ' LYS . 17.6 p90 -91.95 164.55 13.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -70.18 106.76 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.422 ' CB ' ' HG2' ' A' ' 32' ' ' GLN . 33.9 tttm -117.36 -37.81 3.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.894 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.428 ' CZ ' ' HB2' ' A' ' 32' ' ' GLN . 1.9 p90 -129.95 157.31 42.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.974 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.01 161.43 5.05 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.457 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -58.06 106.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.778 0.323 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 90.6 m -131.6 168.91 16.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -133.97 126.42 30.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 76.3 p -59.8 158.43 10.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.561 ' O ' HG23 ' A' ' 47' ' ' VAL . . . -61.9 -39.24 91.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.47 -62.84 5.77 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -44.71 -49.53 10.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.57 -42.26 64.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 43' ' ' ALA . 94.8 t -48.62 -43.77 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -69.88 -57.81 4.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.603 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 1.8 t-105 -47.75 -47.36 30.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.429 HD13 ' HD2' ' A' ' 21' ' ' PHE . 26.7 tp -70.65 -54.67 11.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.564 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 7.3 t80 -46.12 -63.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.425 ' N ' ' CD2' ' A' ' 51' ' ' TYR . 1.7 t70 -46.77 -44.63 19.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.512 HD21 ' OG ' ' A' ' 20' ' ' SER . 4.2 tp -60.35 -49.27 78.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.499 HD22 ' CZ ' ' A' ' 60' ' ' PHE . 57.1 mt -59.5 -64.64 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.564 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 4.8 ptt180 -45.86 -32.95 2.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -57.13 -45.46 83.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -69.52 169.3 12.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.7 m -82.55 -42.6 18.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -40.14 -50.06 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.546 ' CE1' HD11 ' A' ' 13' ' ' LEU . 11.6 m-85 -90.81 -54.27 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.56 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 80.68 171.81 44.63 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 3.03 3.04 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.657 2.238 . . . . 0.0 112.34 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -80.06 -40.33 27.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 61' ' ' GLY . 14.7 p -53.23 137.12 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 66' ' ' ARG . 14.2 t -119.57 163.32 17.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 65' ' ' THR . 59.7 mtt180 -36.69 -53.87 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -37.56 -59.8 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -57.94 -43.03 86.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.1 m -53.38 -52.82 58.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 86.9 mt -57.96 -45.72 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.06 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -56.06 -42.1 76.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.3 tp -64.89 -48.07 75.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 76' ' ' PHE . 6.0 tp -43.4 -49.41 7.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -39.07 -42.09 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -66.27 -42.08 88.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 73' ' ' LEU . 3.2 m-85 -53.56 -54.84 31.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.62 HD22 ' CG1' ' A' ' 94' ' ' VAL . 36.6 tp -56.51 -33.2 65.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -75.09 -39.11 60.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -75.58 5.81 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 67.13 32.25 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 83.8 t -81.27 -34.03 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 31.1 pt -140.74 132.32 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.437 ' CD ' ' HA2' ' A' ' 87' ' ' GLY . 13.5 tt0 -109.92 143.7 39.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -63.73 158.8 20.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.469 HG23 ' HD3' ' A' ' 86' ' ' LYS . 2.4 tt -49.28 -43.06 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.469 ' HD3' HG23 ' A' ' 85' ' ' ILE . 11.0 mptt -70.36 -49.45 49.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.437 ' HA2' ' CD ' ' A' ' 83' ' ' GLU . . . 133.24 45.98 0.11 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -107.9 120.43 42.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 110.862 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 5.9 p-90 -141.59 154.34 45.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 108.03 -17.71 34.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.3 m -89.83 166.0 13.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.789 0.328 . . . . 0.0 110.851 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -117.77 17.13 14.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -94.38 102.2 14.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.62 ' CG1' HD22 ' A' ' 77' ' ' LEU . 27.5 m -147.81 135.52 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -152.18 148.71 27.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.442 ' C ' ' OD1' ' A' ' 96' ' ' ASP . 16.5 t0 -52.12 101.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -152.08 177.31 10.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.97 -7.65 37.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -53.64 102.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.04 167.1 5.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -143.03 177.88 8.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -161.37 160.86 30.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.522 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 32.4 t80 -101.36 139.28 20.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.628 0.728 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 54.2 Cg_endo -69.76 -177.78 2.03 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.667 2.245 . . . . 0.0 112.333 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.82 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -122.47 121.78 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 0.0 110.859 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.7 t -113.64 147.07 38.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.21 122.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m -69.99 -50.03 45.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.842 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 t -133.79 114.8 13.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.16 41.42 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -71.74 -48.45 46.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.885 0.374 . . . . 0.0 110.919 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -42.78 -44.16 4.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.13 -45.91 31.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.6 m -53.17 -55.68 22.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.106 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -46.68 -46.06 19.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.8 tp -52.93 -57.16 11.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -51.15 -56.03 14.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -55.02 -42.35 72.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -57.87 -49.11 77.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.2 t -60.71 -60.68 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.735 HG22 ' CE2' ' A' ' 76' ' ' PHE . 77.0 p -44.64 -44.66 9.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.9 m -54.83 -58.66 6.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 m -58.51 -42.4 87.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.417 ' O ' ' C ' ' A' ' 22' ' ' ARG . 5.0 t80 -54.42 -53.95 47.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.454 ' HD2' ' CE2' ' A' ' 103' ' ' PHE . 14.8 ttt180 -37.27 -58.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.94 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -72.74 -63.93 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.045 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.624 ' CA ' ' CZ2' ' A' ' 49' ' ' TRP . . . 34.18 -146.8 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.431 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 22.1 mtp -72.72 155.73 90.59 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.533 0.682 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -175.4 1.15 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.675 2.25 . . . . 0.0 112.345 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.864 HD11 ' C ' ' A' ' 39' ' ' ASN . 4.1 mm? -69.37 159.16 33.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.0 ttm-85 -152.02 131.13 12.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -88.74 125.06 34.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.441 ' CD2' ' HG1' ' A' ' 42' ' ' THR . 61.4 m-70 -91.47 -63.84 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -156.88 101.98 1.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 33' ' ' HIS . 19.7 tp60 -156.98 105.76 2.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 32' ' ' GLN . 15.5 t-80 -34.77 -66.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -59.75 178.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.3 tptp -51.95 162.04 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -52.02 175.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.441 ' CE2' HD11 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -87.48 174.07 8.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.957 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.28 -106.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.864 ' C ' HD11 ' A' ' 27' ' ' LEU . 1.5 t30 -114.44 17.96 17.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.777 0.322 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.549 ' SG ' HD13 ' A' ' 100' ' ' LEU . 19.2 p -86.57 159.41 19.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -154.21 141.01 19.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.441 ' HG1' ' CD2' ' A' ' 30' ' ' HIS . 77.3 p -56.11 151.36 12.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.161 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.505 ' HB2' ' CE2' ' A' ' 101' ' ' PHE . . . -66.71 -44.28 82.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.12 -51.53 11.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -55.19 -44.18 75.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.82 0.343 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.28 -40.31 61.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.432 ' O ' HG21 ' A' ' 69' ' ' THR . 65.8 t -50.07 -50.8 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -69.55 -48.56 59.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.624 ' CZ2' ' CA ' ' A' ' 24' ' ' GLY . 1.2 t-105 -50.59 -57.15 8.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.4 tp -66.36 -45.79 78.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -48.06 -54.13 14.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -57.73 -38.31 75.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 tp -66.01 -42.97 89.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.3 mt -64.38 -65.54 0.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.476 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 26.3 ptt85 -44.54 -46.15 9.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.476 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 19.4 t-20 -45.12 -45.26 11.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -70.23 155.4 40.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.5 p -72.4 -43.69 63.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -37.41 -60.45 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -83.75 -50.71 7.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.623 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 75.71 175.0 37.28 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -0.27 6.67 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.347 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -74.11 -31.47 62.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.623 HG12 ' O ' ' A' ' 61' ' ' GLY . 9.6 p -63.96 141.8 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.182 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.0 t -117.46 163.38 16.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 69' ' ' THR . 24.0 mtm180 -43.47 -56.82 3.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 66' ' ' ARG . 3.7 mp0 -34.28 -53.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -60.49 -41.99 95.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 66' ' ' ARG . 23.3 m -54.46 -53.71 50.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.3 mt -54.42 -44.85 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -57.04 -46.91 82.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.7 tp -64.84 -45.45 86.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.0 tp -42.99 -40.7 3.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -51.03 -52.77 39.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 78' ' ' LYS . 0.3 OUTLIER -45.0 -59.42 2.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.735 ' CE2' HG22 ' A' ' 18' ' ' THR . 84.1 m-85 -37.59 -43.57 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.713 HD22 ' CG1' ' A' ' 94' ' ' VAL . 41.6 tp -70.25 -40.38 74.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' LYS . 5.9 pttp -60.17 -34.75 74.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -86.2 4.3 39.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.712 ' CE1' ' CD2' ' A' ' 89' ' ' TRP . 4.2 t-160 66.81 32.9 6.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.4 t -79.24 -33.88 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.109 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 30.4 pt -132.23 131.34 60.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 84' ' ' ASP . 14.8 tt0 -108.03 151.24 26.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.427 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 0.7 OUTLIER -68.87 165.55 19.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.2 tt -68.22 -21.54 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.444 ' HA ' ' CE ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -90.03 -46.46 8.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.844 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 136.4 47.64 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -116.94 118.19 31.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.339 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.712 ' CD2' ' CE1' ' A' ' 80' ' ' HIS . 26.5 p-90 -139.61 150.58 45.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 96.28 44.4 3.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.549 ' O ' HD23 ' A' ' 77' ' ' LEU . 23.2 m -146.49 162.69 37.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.902 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -116.26 17.75 15.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -105.28 102.1 11.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.713 ' CG1' HD22 ' A' ' 77' ' ' LEU . 26.9 m -147.77 120.66 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.073 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -105.99 176.9 5.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.11 16.3 3.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -53.57 178.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.19 15.61 2.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -66.41 124.91 24.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.549 HD13 ' SG ' ' A' ' 40' ' ' CYS . 83.6 mt -77.59 141.68 39.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CE2' ' HB2' ' A' ' 43' ' ' ALA . 44.5 m-85 -127.89 157.07 41.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -135.64 177.1 8.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.535 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 5.9 t80 -117.63 140.35 27.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.722 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.535 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.8 Cg_endo -69.79 160.57 49.22 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.647 2.231 . . . . 0.0 112.36 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.877 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -127.79 141.78 51.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -110.47 172.06 7.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.41 -174.53 35.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.466 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.5 p -104.67 153.18 21.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.922 0.391 . . . . 0.0 110.812 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.0 m -76.94 -54.58 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.12 45.33 3.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.503 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.458 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 5.4 p90 -55.87 -43.86 77.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.862 0.363 . . . . 0.0 110.893 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.458 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -48.37 -54.76 12.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.32 -54.42 9.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 12' ' ' LYS . 90.0 m -40.91 -49.77 3.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' THR . 2.6 tppp? -37.12 -56.47 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 tt -46.92 -63.38 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.2 t-105 -46.68 -53.39 11.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -47.5 -50.97 22.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -49.46 -52.91 26.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.3 t -53.62 -58.4 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.156 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.7 p -53.9 -41.43 67.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.6 m -62.91 -62.92 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.1 m -53.72 -49.58 67.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -52.67 -47.54 67.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -41.38 -61.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -65.51 -63.85 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.539 ' HA3' ' CE2' ' A' ' 49' ' ' TRP . . . 33.75 -132.26 0.37 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.528 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 20.8 ptt? -81.95 153.07 69.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 172.53 12.51 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.7 2.267 . . . . 0.0 112.349 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.675 HD21 ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -70.44 117.04 11.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.7 ttt85 -114.83 149.93 36.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -90.02 146.83 24.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.525 ' CE1' ' H ' ' A' ' 42' ' ' THR . 70.4 m80 -113.38 178.38 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.6 ttt85 -80.16 117.26 20.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.487 ' HG2' ' CG ' ' A' ' 37' ' ' TYR . 0.8 OUTLIER -154.87 156.03 35.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.451 ' N ' ' OE1' ' A' ' 32' ' ' GLN . 55.8 t60 -140.85 110.73 6.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.429 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 52.6 t80 53.66 47.9 22.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -135.99 174.41 10.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.44 ' C ' ' CD1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -75.2 102.13 4.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.854 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.706 ' CZ ' HD11 ' A' ' 100' ' ' LEU . 27.2 m-85 -146.28 176.06 10.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 146.07 -107.61 0.42 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.675 ' O ' HD21 ' A' ' 27' ' ' LEU . 21.8 t-20 -81.37 14.39 2.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.478 ' SG ' HD22 ' A' ' 100' ' ' LEU . 23.4 p -88.74 158.93 18.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.417 ' CE1' ' HA ' ' A' ' 102' ' ' ARG . 23.8 p90 -143.41 138.38 29.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.525 ' H ' ' CE1' ' A' ' 30' ' ' HIS . 82.5 p -67.88 155.45 39.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.05 -46.92 63.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.121 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.88 -54.12 3.64 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -55.83 -41.86 74.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.65 -43.35 84.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.4 t -47.04 -46.15 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -67.07 -47.71 70.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.569 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 0.9 OUTLIER -56.37 -60.0 4.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.605 HD23 HG23 ' A' ' 69' ' ' THR . 27.3 tp -59.63 -45.06 93.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.424 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 37.4 t80 -55.62 -49.33 73.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -24.0 63.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.505 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 8.1 tp -82.09 -32.43 30.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.404 HD11 HD23 ' A' ' 72' ' ' LEU . 77.4 mt -80.41 -52.57 7.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.434 ' CG ' ' N ' ' A' ' 56' ' ' ASN . 32.8 ptt85 -50.89 -49.5 59.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.505 ' ND2' ' HA ' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -60.06 -40.64 90.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.496 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 13.3 t30 -56.78 157.94 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 t -85.68 -45.61 11.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -43.77 -60.61 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -79.44 -47.03 16.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.39 174.23 45.67 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -16.43 37.75 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -56.77 -24.35 49.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.0 p -60.99 137.74 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 59.7 p -114.2 169.62 8.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.599 ' O ' HD12 ' A' ' 70' ' ' ILE . 5.8 tpp85 -48.36 -57.16 6.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.597 ' HA ' HD13 ' A' ' 70' ' ' ILE . 3.4 tt0 -42.14 -55.74 3.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -43.84 -44.55 6.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.605 HG23 HD23 ' A' ' 50' ' ' LEU . 87.1 m -54.86 -64.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.076 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.778 ' H ' HD12 ' A' ' 70' ' ' ILE . 5.4 mp -40.84 -43.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -57.28 -57.48 12.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.404 HD23 HD11 ' A' ' 54' ' ' LEU . 13.3 tp -58.76 -45.54 89.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.447 HD23 ' CG2' ' A' ' 94' ' ' VAL . 10.3 tp -44.46 -40.54 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -51.45 -53.82 33.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -43.24 -56.6 3.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -39.32 -65.6 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.48 HD21 ' HB2' ' A' ' 91' ' ' SER . 58.4 tp -55.65 -39.9 71.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -34.4 74.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -92.64 17.69 9.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.54 ' HB2' ' CE3' ' A' ' 89' ' ' TRP . 2.0 t60 57.42 32.81 22.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 83.9 t -80.29 -34.81 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.121 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 16.4 pt -137.87 127.37 34.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.436 ' CD ' ' HA2' ' A' ' 87' ' ' GLY . 22.6 pt-20 -103.83 156.09 18.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.03 169.86 16.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.423 HD12 ' SG ' ' A' ' 40' ' ' CYS . 5.3 tt -43.14 -37.16 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -70.4 -49.63 46.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.436 ' HA2' ' CD ' ' A' ' 83' ' ' GLU . . . 120.72 32.42 1.11 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -107.04 144.34 33.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.54 ' CE3' ' HB2' ' A' ' 80' ' ' HIS . 66.0 p-90 -135.39 164.0 28.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 108.18 50.0 0.79 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.48 ' HB2' HD21 ' A' ' 77' ' ' LEU . 40.1 m -152.25 148.12 27.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.817 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -113.62 16.68 18.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -103.55 102.67 12.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 94' ' ' VAL . 34.8 m -153.95 116.79 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -109.95 177.65 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -82.56 14.88 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -77.31 178.04 7.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.42 106.56 3.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -152.98 112.72 3.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.706 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 99.4 mt -62.76 147.22 50.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -147.53 171.41 15.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.417 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 6.8 ptt180 -161.28 167.56 25.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.54 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 7.6 t80 -101.42 139.66 20.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.679 0.752 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.54 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.9 Cg_endo -69.76 -172.39 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.693 2.262 . . . . 0.0 112.323 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.878 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.0 t -84.9 -46.33 11.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.894 0.378 . . . . 0.0 110.861 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.8 p -71.0 137.38 49.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.01 98.09 0.21 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.527 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -53.32 -48.01 68.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.869 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.9 t -138.43 116.05 11.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.96 42.55 4.06 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.456 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 9' ' ' ARG . 19.1 p90 -66.67 -55.33 15.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.919 0.39 . . . . 0.0 110.946 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 8' ' ' TYR . 34.1 ttt-85 -34.95 -53.01 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.42 -49.02 59.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.097 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.2 m -47.3 -42.6 21.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -50.06 -49.67 50.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.693 HD12 ' HE1' ' A' ' 60' ' ' PHE . 4.1 mm? -69.26 -58.87 3.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.778 ' O ' HG23 ' A' ' 18' ' ' THR . 43.4 t-105 -41.34 -46.99 3.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -63.34 -36.88 85.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 13' ' ' LEU . 44.0 mt-10 -71.94 -58.3 3.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 13' ' ' LEU . 2.7 p -54.96 -39.7 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.159 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.778 HG23 ' O ' ' A' ' 14' ' ' TRP . 41.2 p -63.23 -46.06 88.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.3 m -59.92 -50.57 73.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.58 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.8 m -61.43 -59.9 4.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.456 ' CD2' HD13 ' A' ' 50' ' ' LEU . 19.9 t80 -49.91 -48.58 51.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.415 ' HD2' ' C ' ' A' ' 22' ' ' ARG . 2.9 tmm_? -44.99 -54.95 5.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.479 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -72.06 -64.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . 31.51 -109.66 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -126.73 158.05 69.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.61 0.719 . . . . 0.0 110.84 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.774 ' O ' HD22 ' A' ' 27' ' ' LEU . 53.5 Cg_endo -69.8 -51.21 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.652 2.235 . . . . 0.0 112.334 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.815 HD21 ' HA ' ' A' ' 39' ' ' ASN . 4.1 mm? -133.57 175.46 9.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.41 ' NH2' ' HB2' ' A' ' 49' ' ' TRP . 6.5 mmt180 -126.29 174.88 8.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.64 110.2 21.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.41 ' NE2' ' HA ' ' A' ' 41' ' ' PHE . 2.1 p80 -164.47 160.51 20.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -64.4 160.43 19.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 61.2 41.29 13.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.411 ' CD2' ' HD1' ' A' ' 34' ' ' PHE . 6.4 p-80 -52.66 -60.57 3.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.411 ' HD1' ' CD2' ' A' ' 33' ' ' HIS . 0.5 OUTLIER -116.73 17.94 15.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.856 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.7 mmtt -70.13 -65.81 0.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -109.58 -36.99 5.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -120.92 177.91 4.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.772 ' O ' HD11 ' A' ' 27' ' ' LEU . . . -140.09 -58.83 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.464 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.815 ' HA ' HD21 ' A' ' 27' ' ' LEU . 69.4 m-20 -89.17 6.16 41.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.888 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.642 ' SG ' HD12 ' A' ' 85' ' ' ILE . 1.8 t -88.69 160.22 17.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.41 ' HA ' ' NE2' ' A' ' 30' ' ' HIS . 4.9 p90 -153.63 158.82 41.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.4 p -80.57 151.19 29.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.125 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.457 ' O ' ' HB3' ' A' ' 46' ' ' ALA . . . -63.32 -53.9 45.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 43' ' ' ALA . . . -35.72 -65.83 0.44 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.12 -47.1 4.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.361 . . . . 0.0 110.927 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 43' ' ' ALA . . . -50.63 -48.16 58.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.067 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.0 t -40.99 -49.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.12 -50.39 68.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.41 ' HB2' ' NH2' ' A' ' 28' ' ' ARG . 3.2 t-105 -52.67 -53.96 40.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.596 HD23 HG23 ' A' ' 69' ' ' THR . 14.3 tp -65.77 -59.09 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.442 ' CZ ' ' HD2' ' A' ' 55' ' ' ARG . 16.5 t80 -39.7 -61.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -48.55 -48.25 38.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.58 HD21 ' HB2' ' A' ' 20' ' ' SER . 11.0 tp -59.36 -43.98 92.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.472 HD21 HG21 ' A' ' 17' ' ' VAL . 41.1 mt -61.51 -60.36 3.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.454 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 13.3 ptm180 -52.03 -44.14 64.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.454 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 9.1 t-20 -45.39 -42.08 9.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -74.72 148.96 40.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 59' ' ' ASN . 44.4 m -66.32 -50.17 64.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 58' ' ' SER . 10.1 t-20 -33.84 -60.83 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.693 ' HE1' HD12 ' A' ' 13' ' ' LEU . 12.5 m-85 -79.18 -49.08 13.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.518 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 73.95 175.93 33.22 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.506 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -16.09 37.37 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -55.7 -38.65 69.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 61' ' ' GLY . 10.6 p -56.87 132.63 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.3 t -109.38 162.36 14.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.463 ' O ' HD12 ' A' ' 70' ' ' ILE . 11.7 ttt-85 -41.43 -52.42 3.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.435 ' HA ' HD13 ' A' ' 70' ' ' ILE . 8.1 tt0 -40.29 -62.69 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -41.0 -40.73 1.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.596 HG23 HD23 ' A' ' 50' ' ' LEU . 21.5 m -55.34 -65.15 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.721 ' H ' HD12 ' A' ' 70' ' ' ILE . 5.2 mp -39.01 -42.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -66.77 -45.82 77.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.7 tp -63.87 -54.15 39.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.4 tp -39.68 -45.14 1.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -43.01 -51.86 5.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -46.42 -56.29 6.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.677 ' HD2' HG11 ' A' ' 81' ' ' VAL . 63.7 m-85 -40.28 -60.75 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.416 HD11 ' HA ' ' A' ' 89' ' ' TRP . 12.5 tp -55.8 -36.05 66.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -63.36 -47.22 83.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -76.19 7.76 3.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 67.87 32.04 5.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.677 HG11 ' HD2' ' A' ' 76' ' ' PHE . 93.9 t -77.59 -29.32 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 23.7 pt -148.45 128.67 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -101.05 170.69 8.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -78.31 154.28 31.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.805 ' CD1' HD13 ' A' ' 100' ' ' LEU . 12.6 tt -38.72 -34.76 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -87.68 -42.56 12.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 130.26 50.77 0.11 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.44 ' HB3' ' NH1' ' A' ' 88' ' ' ARG . 16.3 mtp-105 -110.94 138.18 47.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.759 0.314 . . . . 0.0 110.891 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.416 ' HA ' HD11 ' A' ' 77' ' ' LEU . 11.3 p-90 -144.03 170.48 15.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 73.04 41.48 47.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.515 ' O ' ' CG ' ' A' ' 92' ' ' GLU . 52.9 m -117.96 -27.55 6.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.84 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 91' ' ' SER . 8.4 pt-20 48.82 32.05 3.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -130.17 102.59 6.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.1 m -145.73 124.49 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.02 175.79 5.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -81.99 12.47 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -82.42 178.11 8.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -68.36 102.76 1.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -149.16 107.56 3.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.805 HD13 ' CD1' ' A' ' 85' ' ' ILE . 77.2 mt -60.64 153.68 23.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 41' ' ' PHE . 29.2 m-85 -158.03 157.46 32.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.402 ' HD3' ' O ' ' A' ' 85' ' ' ILE . 6.7 ptt180 -148.98 149.16 30.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.562 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 2.6 t80 -84.02 134.21 44.24 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.652 0.739 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.562 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.8 Cg_endo -69.78 178.86 4.16 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.706 2.271 . . . . 0.0 112.325 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.897 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 t 60.16 42.24 15.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 0.0 110.857 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 m -109.1 111.65 23.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.67 68.37 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.0 m -147.05 161.13 41.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.866 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 t -150.81 153.38 35.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.79 43.53 14.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.443 ' O ' ' C ' ' A' ' 9' ' ' ARG . 6.4 p90 -72.23 -52.82 14.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.87 0.366 . . . . 0.0 110.93 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 8' ' ' TYR . 9.5 tpp85 -34.41 -54.35 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.74 -50.72 65.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.1 m -49.24 -42.78 41.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -50.15 -61.81 1.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.1 mt -43.7 -63.97 0.74 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.519 ' O ' HG23 ' A' ' 18' ' ' THR . 62.3 t-105 -45.95 -44.63 14.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -64.76 -30.2 71.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -75.75 -61.91 1.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 18' ' ' THR . 6.2 p -52.19 -42.21 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 14' ' ' TRP . 37.5 p -63.44 -46.29 86.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.5 m -63.45 -46.09 87.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.411 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 6.0 m -62.66 -45.28 93.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' ARG . 8.0 t80 -61.44 -59.8 4.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -35.05 -60.61 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -68.82 -33.91 74.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.086 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.576 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . -34.44 -76.57 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.539 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 37.2 tpp -52.06 107.35 0.81 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 25' ' ' MET . 53.8 Cg_endo -69.75 6.85 1.15 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.732 2.288 . . . . 0.0 112.348 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.451 HD13 ' HB3' ' A' ' 39' ' ' ASN . 30.8 mt 67.99 47.99 1.02 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -52.01 158.43 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -95.56 164.57 12.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -131.17 172.93 11.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.6 ptt-85 -85.55 112.13 20.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -156.25 125.29 6.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' GLN . 25.6 t60 -37.94 -57.39 1.04 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -120.21 148.5 43.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.95 102.3 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -116.75 -37.44 3.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.945 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.519 ' CD1' ' N ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -74.44 -61.18 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.69 -95.56 2.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.519 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.451 ' HB3' HD13 ' A' ' 27' ' ' LEU . 1.1 m-80 -115.65 17.96 16.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 83.3 m -79.98 167.77 20.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.539 ' CD2' ' HG2' ' A' ' 25' ' ' MET . 11.1 p90 -153.15 158.0 41.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.1 p -76.3 145.8 39.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 44' ' ' GLY . . . -59.95 -57.9 10.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.084 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 43' ' ' ALA . . . -34.03 -64.83 0.35 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -44.83 -45.96 10.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.88 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 43' ' ' ALA . . . -54.57 -37.77 65.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.061 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.404 HG21 ' CB ' ' A' ' 96' ' ' ASP . 94.7 t -52.96 -48.89 51.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -65.7 -49.43 68.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.576 ' CZ2' ' HA3' ' A' ' 24' ' ' GLY . 1.1 t-105 -56.76 -62.82 1.47 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.412 HD23 HG23 ' A' ' 69' ' ' THR . 28.1 tp -51.24 -42.07 60.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -62.12 -48.55 79.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.55 -38.58 69.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.412 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 6.2 tp -68.6 -43.88 75.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.8 mt -60.77 -54.65 42.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -57.8 -41.42 82.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -57.05 -41.33 78.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -56.95 174.16 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 m -97.73 -48.34 5.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -46.66 -56.91 5.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -75.94 -39.91 55.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.502 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 67.63 175.06 8.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -7.15 20.31 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.651 2.234 . . . . 0.0 112.344 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -64.84 -36.53 84.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.502 HG12 ' O ' ' A' ' 61' ' ' GLY . 14.7 p -55.97 146.0 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 66' ' ' ARG . 15.2 t -130.85 166.2 21.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.435 ' NH1' ' HB3' ' A' ' 66' ' ' ARG . 13.9 ttp-105 -37.06 -47.96 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -39.0 -59.57 0.96 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -58.25 -40.45 81.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.412 HG23 HD23 ' A' ' 50' ' ' LEU . 49.1 m -56.76 -57.51 12.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 89.6 mt -55.39 -46.52 78.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.123 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -56.25 -42.72 77.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.448 ' HG ' ' CE2' ' A' ' 76' ' ' PHE . 49.9 tp -66.31 -46.5 76.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.1 tp -44.82 -41.76 7.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.471 ' HG3' ' CG2' ' A' ' 94' ' ' VAL . 47.7 mtt180 -59.3 -43.0 92.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -60.3 -58.38 8.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.452 ' CD1' ' CH2' ' A' ' 14' ' ' TRP . 14.4 m-85 -38.46 -59.77 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 82' ' ' ILE . 33.5 tp -49.06 -42.39 38.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.419 ' C ' ' HD2' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -63.17 -41.0 99.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.819 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.606 ' HB2' HG23 ' A' ' 81' ' ' VAL . 3.9 m120 -76.75 7.58 4.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.636 ' CE1' ' CZ3' ' A' ' 89' ' ' TRP . 3.2 t-160 66.27 32.29 7.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.606 HG23 ' HB2' ' A' ' 79' ' ' ASN . 96.3 t -82.67 -31.16 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.586 ' O ' HD12 ' A' ' 77' ' ' LEU . 10.9 pt -138.25 124.2 25.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -101.7 138.74 38.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.21 168.39 10.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.6 tp -59.26 -32.53 48.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -94.77 -39.71 10.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 121.85 52.1 0.23 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -94.03 17.42 12.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.751 0.31 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.636 ' CZ3' ' CE1' ' A' ' 80' ' ' HIS . 36.5 p-90 -57.76 148.02 26.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 113.04 -18.23 21.68 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.3 m -106.26 177.14 4.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 0.0 110.856 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -116.88 15.97 15.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -83.66 102.02 11.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.471 ' CG2' ' HG3' ' A' ' 74' ' ' ARG . 24.2 m -151.85 137.03 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.156 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -129.35 165.42 21.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.404 ' CB ' HG21 ' A' ' 47' ' ' VAL . 2.5 p30 -81.61 15.8 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -82.74 178.07 8.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.6 104.62 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -150.0 114.95 5.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 66.0 mt -69.24 136.13 51.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -130.04 174.21 9.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -154.58 174.87 14.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.48 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 2.7 t80 -103.35 136.7 19.18 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.659 0.742 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.48 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.9 Cg_endo -69.74 171.9 13.59 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.83 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.6 p -68.26 128.76 37.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 0.0 110.831 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.3 m -93.11 -53.24 4.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.53 132.76 0.61 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -106.34 168.23 9.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.364 . . . . 0.0 110.85 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.6 p -132.26 127.22 35.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.827 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 8' ' ' TYR . . . 82.57 46.59 6.34 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.468 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 7' ' ' GLY . 4.2 p90 -34.93 -52.43 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.915 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.3 mtp85 -48.9 -52.82 22.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.87 -39.51 94.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.7 m -59.94 -52.68 64.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -57.56 -47.49 81.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 17' ' ' VAL . 3.6 tt -58.01 -60.83 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.412 ' CH2' ' CD1' ' A' ' 76' ' ' PHE . 49.9 t-105 -54.84 -57.65 10.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -50.88 -34.42 28.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.4 ' O ' HG22 ' A' ' 19' ' ' THR . 21.0 mt-10 -67.19 -47.39 71.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 13' ' ' LEU . 39.8 t -64.36 -34.69 70.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.404 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 41.5 p -76.75 -47.31 22.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 16' ' ' GLU . 0.7 OUTLIER -59.85 -35.98 75.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.157 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -79.36 -59.44 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.43 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 8.4 t80 -54.26 -44.88 72.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.409 ' HD2' ' C ' ' A' ' 22' ' ' ARG . 1.9 tmm_? -52.85 -48.87 66.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.12 -64.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.59 ' HA2' ' CZ2' ' A' ' 49' ' ' TRP . . . 60.87 129.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.46 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.501 ' N ' ' HD2' ' A' ' 26' ' ' PRO . 5.3 mtp -63.7 -59.97 10.31 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.598 0.713 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 25' ' ' MET . 53.8 Cg_endo -69.74 135.09 29.61 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.676 2.25 . . . . 0.0 112.329 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.461 ' HG ' ' N ' ' A' ' 28' ' ' ARG . 6.5 tp -159.88 153.98 23.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.461 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 54.6 mtp180 62.22 40.04 12.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -76.1 -43.09 44.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -72.87 176.46 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -120.11 145.24 47.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.562 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 2.4 pm0 -131.83 177.33 7.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -74.56 -67.28 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.52 ' O ' ' CG ' ' A' ' 35' ' ' LYS . 73.8 t80 -152.08 103.21 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.52 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 11.2 ptpt 50.95 32.04 6.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.596 ' C ' ' CD1' ' A' ' 37' ' ' TYR . 37.7 mttm -102.72 119.98 39.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 36' ' ' LYS . 14.2 p90 46.61 32.83 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.29 -55.06 29.86 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.485 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.3 13.61 4.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.794 0.331 . . . . 0.0 110.853 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 97.7 m -96.41 160.73 14.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -138.43 125.99 22.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.7 p -62.67 164.08 8.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.82 ' O ' HG23 ' A' ' 47' ' ' VAL . . . -65.01 -47.11 78.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.084 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.91 -61.48 7.3 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.471 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -51.41 -49.78 60.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.876 0.37 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.27 -48.39 62.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 43' ' ' ALA . 97.3 t -39.91 -44.95 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -71.35 -46.13 61.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.59 ' CZ2' ' HA2' ' A' ' 24' ' ' GLY . 2.1 t-105 -54.69 -46.05 74.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.482 HD21 HD23 ' A' ' 72' ' ' LEU . 60.8 tp -72.13 -53.15 13.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.493 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 28.6 t80 -47.09 -58.26 4.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.445 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 1.8 t0 -48.07 -42.76 29.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.895 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 tp -66.53 -45.44 79.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 65.6 mt -60.27 -56.97 15.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.493 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 25.5 ptt180 -54.24 -38.38 65.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.465 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 2.8 t-20 -55.97 -38.98 71.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -69.35 170.6 10.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.3 t -86.78 -49.4 7.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.806 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -40.68 -54.22 2.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -84.32 -40.84 17.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.649 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 61.99 173.92 1.72 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.533 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 3.02 3.0 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.704 2.269 . . . . 0.0 112.352 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -78.76 -35.67 44.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.649 HG12 ' O ' ' A' ' 61' ' ' GLY . 7.3 p -55.75 138.73 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.2 p -107.12 171.56 7.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -52.99 -44.28 67.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -46.73 -55.36 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -51.91 -43.4 63.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 70.6 m -53.64 -52.87 58.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 74.8 mt -54.58 -44.5 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -52.08 -48.87 64.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.482 HD23 HD21 ' A' ' 50' ' ' LEU . 31.6 tp -60.18 -48.6 81.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.2 tp -42.79 -43.58 4.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.647 ' HG2' HG22 ' A' ' 94' ' ' VAL . 51.3 mtt180 -54.73 -54.69 38.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -49.41 -60.06 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.437 ' CE2' ' HG ' ' A' ' 72' ' ' LEU . 22.0 m-85 -41.11 -61.86 0.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.715 HD12 ' O ' ' A' ' 82' ' ' ILE . 14.8 tp -51.47 -39.77 58.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -66.1 -38.99 89.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -80.91 13.07 2.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.536 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 1.9 t60 63.0 32.1 15.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.411 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 78.2 t -83.96 -30.34 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.715 ' O ' HD12 ' A' ' 77' ' ' LEU . 22.1 pt -137.92 127.13 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -103.87 138.75 40.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -75.73 154.37 36.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 6.2 tt -54.98 -23.66 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -95.1 -42.01 8.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 117.81 52.26 0.32 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -105.0 17.69 23.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.33 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.423 ' HA ' HD11 ' A' ' 77' ' ' LEU . 19.6 p-90 -58.26 149.79 23.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 115.32 -38.81 2.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.483 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.7 m -82.05 171.74 14.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.841 0.353 . . . . 0.0 110.844 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -116.59 17.14 15.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -96.3 106.02 18.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.647 HG22 ' HG2' ' A' ' 74' ' ' ARG . 34.5 m -141.05 123.18 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -107.57 177.18 4.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.93 13.98 2.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.469 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 9.1 m120 -57.47 172.77 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -86.96 17.3 4.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.445 ' O ' ' CD1' ' A' ' 101' ' ' PHE . 55.5 mt-30 -58.41 108.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.581 HD13 ' CB ' ' A' ' 37' ' ' TYR . 41.6 mt -56.3 146.75 22.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.585 ' HE1' ' HB2' ' A' ' 43' ' ' ALA . 46.8 m-85 -131.14 164.25 25.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -157.8 132.78 8.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.555 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 3.0 t80 -73.94 135.67 77.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.6 0.714 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.555 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.7 Cg_endo -69.78 171.97 13.5 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.896 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 t -81.37 126.04 31.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 110.87 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.7 p -97.8 128.03 44.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.23 80.07 0.33 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.4 p -74.7 121.17 21.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 t -62.67 -52.26 64.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.23 68.67 1.71 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.497 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.425 ' O ' ' C ' ' A' ' 9' ' ' ARG . 8.2 t80 -66.35 -58.44 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.925 0.393 . . . . 0.0 110.932 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 8' ' ' TYR . 6.6 ptm180 -36.37 -46.21 0.53 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.92 -43.45 62.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.7 m -55.95 -43.97 77.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.4 tptt -55.9 -60.75 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.3 tp -47.23 -49.37 23.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.46 ' CH2' ' CD1' ' A' ' 76' ' ' PHE . 30.9 t-105 -57.91 -46.19 85.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -59.06 -48.03 83.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -55.82 -49.86 72.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 78.2 t -61.5 -67.76 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.9 p -38.16 -45.85 0.99 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.3 m -61.0 -53.55 55.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.7 m -56.97 -58.85 6.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.412 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 8.3 t80 -46.8 -52.4 14.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.571 ' HD2' ' CE2' ' A' ' 103' ' ' PHE . 9.2 ttt-85 -43.43 -64.16 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -71.99 -63.82 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.587 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . 34.24 -147.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -56.31 151.84 26.08 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.546 0.688 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 163.47 38.15 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.515 HD22 ' OD1' ' A' ' 39' ' ' ASN . 26.7 mt -77.13 147.96 36.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -122.72 160.09 26.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -86.53 116.31 24.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -77.57 167.55 21.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -59.58 -53.06 62.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -54.29 109.1 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -99.47 -30.55 12.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -53.35 175.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -71.51 0.9 7.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.47 ' HD2' ' CE2' ' A' ' 37' ' ' TYR . 8.8 ttmm -34.66 -63.69 0.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.529 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 18.1 p90 -155.42 163.94 39.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.15 -175.42 47.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.468 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.515 ' OD1' HD22 ' A' ' 27' ' ' LEU . 9.1 t-20 -52.22 103.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 110.906 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.529 ' SG ' ' CD1' ' A' ' 37' ' ' TYR . 6.4 p -137.27 142.71 41.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 101' ' ' PHE . 9.5 p90 -108.79 155.36 20.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.4 p -85.45 166.99 15.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.122 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.443 ' HB2' ' HE2' ' A' ' 101' ' ' PHE . . . -65.65 -59.4 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.35 -58.58 1.65 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.22 -54.45 20.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.36 . . . . 0.0 110.913 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -47.87 -46.77 31.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.07 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.1 t -45.01 -41.49 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -68.86 -60.5 2.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.589 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 0.8 OUTLIER -41.11 -59.22 1.55 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.571 HD21 HD23 ' A' ' 72' ' ' LEU . 60.9 tp -62.81 -50.78 69.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.517 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 38.9 t80 -43.66 -46.71 7.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -63.56 -46.65 84.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.514 HD13 ' CH2' ' A' ' 49' ' ' TRP . 8.1 tp -55.97 -35.83 67.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 46.4 mt -71.94 -63.69 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.517 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 41.9 ptt85 -51.89 -43.3 63.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -46.65 -43.26 17.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -73.21 172.3 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.2 t -86.46 -46.8 9.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -37.47 -54.83 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -85.14 -55.83 3.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.707 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 78.57 172.79 41.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 2.92 3.08 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -80.12 -27.34 39.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 61' ' ' GLY . 6.4 p -61.72 137.51 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.105 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.4 p -111.16 166.23 11.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.144 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -50.34 -48.18 55.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -43.33 -54.12 4.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -60.82 -37.24 81.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 98.5 m -59.98 -54.16 49.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 53.6 mt -55.85 -37.97 49.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -54.29 -46.06 72.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.571 HD23 HD21 ' A' ' 50' ' ' LEU . 58.3 tp -62.58 -50.17 72.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 tp -41.03 -41.36 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -52.82 -47.67 67.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 78' ' ' LYS . 20.2 mttp -57.1 -60.98 2.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.46 ' CD1' ' CH2' ' A' ' 14' ' ' TRP . 20.2 m-85 -38.79 -58.48 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.499 HD22 ' CG1' ' A' ' 94' ' ' VAL . 67.7 tp -51.52 -36.41 44.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 75' ' ' LYS . 16.6 mtmt -72.17 -37.88 69.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -79.07 7.94 6.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.679 ' CE1' ' CE2' ' A' ' 89' ' ' TRP . 4.8 t-160 64.25 32.19 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.81 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.499 ' O ' ' CE1' ' A' ' 103' ' ' PHE . 92.8 t -82.22 -34.38 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.5 pt -133.49 135.02 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -115.33 155.13 27.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 88' ' ' ARG . 2.9 p-10 -90.46 167.57 12.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.755 HG23 ' HD3' ' A' ' 86' ' ' LYS . 2.4 tt -52.93 -37.23 25.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.755 ' HD3' HG23 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -70.5 -50.11 41.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 121.29 29.96 1.38 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.405 ' O ' ' OD1' ' A' ' 84' ' ' ASP . 55.2 mtm180 -95.07 102.09 13.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.341 . . . . 0.0 110.871 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.679 ' CE2' ' CE1' ' A' ' 80' ' ' HIS . 8.9 p-90 -120.79 118.59 30.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 137.14 35.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.14 166.75 23.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 110.839 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.01 14.6 14.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -96.91 102.35 14.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.499 ' CG1' HD22 ' A' ' 77' ' ' LEU . 15.6 m -141.92 112.29 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -99.29 163.38 12.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 30.9 p30 -80.79 -0.51 39.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -65.33 175.07 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.489 ' CG ' ' O ' ' A' ' 98' ' ' ASN . 2.8 p-10 -66.09 107.74 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -151.15 108.95 3.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.406 HD13 ' SG ' ' A' ' 40' ' ' CYS . 66.9 mt -56.13 159.71 3.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.443 ' HE2' ' HB2' ' A' ' 43' ' ' ALA . 17.8 m-85 -152.35 172.59 16.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -165.22 163.12 20.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.571 ' CE2' ' HD2' ' A' ' 22' ' ' ARG . 4.6 t80 -107.68 140.58 21.7 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.539 ' HD2' ' CD2' ' A' ' 103' ' ' PHE . 53.3 Cg_endo -69.78 149.6 67.0 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.624 2.216 . . . . 0.0 112.361 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.879 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p -88.41 168.68 12.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.2 p -139.46 170.42 15.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.15 94.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -59.94 -55.85 29.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.896 0.379 . . . . 0.0 110.908 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.8 p -93.41 176.67 6.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.83 46.87 13.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.517 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -62.29 -44.45 96.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.357 . . . . 0.0 110.879 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -45.97 -53.86 9.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 11' ' ' THR . . . -65.53 -49.82 67.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.062 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.457 HG22 ' ND2' ' A' ' 15' ' ' ASN . 73.4 m -37.45 -50.21 1.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -43.92 -47.47 8.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.6 tp -56.21 -59.45 4.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.696 ' O ' HG23 ' A' ' 18' ' ' THR . 9.7 t-105 -52.91 -46.12 67.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.457 ' ND2' HG22 ' A' ' 11' ' ' THR . 31.1 m-20 -61.3 -39.2 89.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -65.58 -55.15 19.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 18' ' ' THR . 7.4 p -61.92 -42.42 94.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 14' ' ' TRP . 58.9 p -63.14 -46.52 86.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.3 m -59.53 -50.59 73.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 m -64.99 -58.27 6.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.525 ' CD1' HD13 ' A' ' 50' ' ' LEU . 37.8 t80 -44.27 -48.82 9.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.6 -64.92 0.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -68.78 -63.95 0.96 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.527 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . 33.74 -129.77 0.43 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.503 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -77.33 152.47 81.52 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.585 0.707 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 142.55 48.4 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.696 2.264 . . . . 0.0 112.367 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.489 HD11 ' O ' ' A' ' 39' ' ' ASN . 1.4 tt -67.04 128.0 34.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.6 mtt-85 -122.2 177.86 5.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.68 156.86 25.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.549 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 95.4 m-70 -110.0 172.95 6.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -82.08 110.88 17.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.549 ' NE2' ' O ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -137.49 131.15 31.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -61.11 -67.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -98.03 139.7 33.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -52.17 102.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -117.99 -37.97 3.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.427 ' CZ ' ' HB3' ' A' ' 32' ' ' GLN . 0.5 OUTLIER -135.62 151.45 50.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.75 -93.79 1.78 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.489 ' O ' HD11 ' A' ' 27' ' ' LEU . 6.3 m120 -83.6 17.71 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.7 m -86.15 145.66 26.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.426 ' C ' HD23 ' A' ' 100' ' ' LEU . 9.9 p90 -134.8 136.69 42.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.459 ' N ' HD23 ' A' ' 100' ' ' LEU . 22.1 p -57.29 145.49 31.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.56 77.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.8 -49.47 3.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -59.57 -43.03 93.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.34 . . . . 0.0 110.823 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.85 98.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.5 t -47.82 -42.1 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -68.25 -56.35 8.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.646 ' CH2' HD13 ' A' ' 53' ' ' LEU . 1.3 t-105 -44.09 -54.34 5.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.525 HD13 ' CD1' ' A' ' 21' ' ' PHE . 36.7 tp -66.36 -60.94 2.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 50' ' ' LEU . 28.2 t80 -36.45 -47.68 0.63 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -58.15 -48.17 81.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.646 HD13 ' CH2' ' A' ' 49' ' ' TRP . 3.5 tp -62.94 -42.55 99.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 70.7 mt -61.24 -57.66 11.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 26.2 ptt180 -53.27 -40.01 64.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.441 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 12.7 t-20 -58.25 -52.21 66.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -59.14 162.95 4.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 t -83.15 -42.18 17.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -39.0 -64.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -80.07 -46.3 16.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.61 170.1 24.09 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -1.87 9.23 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.682 2.254 . . . . 0.0 112.312 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -85.94 17.96 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.435 HG23 ' HB2' ' A' ' 68' ' ' GLN . 8.2 p -92.07 143.12 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 66' ' ' ARG . 13.9 t -117.33 150.01 39.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 65' ' ' THR . 32.1 mtm180 -34.88 -43.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -51.78 -56.27 14.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.435 ' HB2' HG23 ' A' ' 64' ' ' VAL . 18.2 mm100 -53.35 -45.3 69.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.8 m -56.69 -54.34 47.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 58.8 mt -53.98 -41.15 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -57.61 -45.31 85.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.492 HD23 HD21 ' A' ' 50' ' ' LEU . 46.9 tp -64.26 -49.65 71.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.6 tp -47.37 -42.8 22.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.75 ' HG2' HG22 ' A' ' 94' ' ' VAL . 67.5 mtt85 -49.87 -50.87 44.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -52.24 -58.02 7.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.544 ' CE1' HG22 ' A' ' 18' ' ' THR . 20.7 m-85 -43.39 -55.69 3.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.712 HD12 ' O ' ' A' ' 82' ' ' ILE . 4.5 tp -56.38 -35.68 67.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.463 ' HD3' ' CG ' ' A' ' 92' ' ' GLU . 34.3 ttpt -72.1 -36.8 69.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -81.91 17.26 1.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.45 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 2.0 t60 61.17 32.1 19.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.448 HG12 HG23 ' A' ' 82' ' ' ILE . 52.9 t -84.25 -33.18 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.712 ' O ' HD12 ' A' ' 77' ' ' LEU . 8.3 pt -140.88 117.44 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -90.25 149.52 22.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -86.07 162.1 18.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.43 ' HA ' ' HD3' ' A' ' 102' ' ' ARG . 3.3 tt -49.03 -30.88 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -103.92 -35.89 7.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 117.99 68.72 0.36 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.8 mtm105 -108.5 17.69 21.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.779 0.323 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 23.4 p-90 -57.97 104.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 120.18 34.43 0.96 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.499 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.6 m -116.61 -16.63 10.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 110.836 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.463 ' CG ' ' HD3' ' A' ' 78' ' ' LYS . 35.7 mp0 53.45 41.86 32.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -145.73 102.43 3.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.75 HG22 ' HG2' ' A' ' 74' ' ' ARG . 28.7 m -138.09 146.49 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.434 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 16.7 m-20 -143.24 177.99 8.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -78.59 10.58 3.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.434 ' ND2' ' HB2' ' A' ' 95' ' ' ASP . 1.9 p30 -56.81 178.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.62 16.55 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -61.94 117.4 5.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.459 HD23 ' N ' ' A' ' 42' ' ' THR . 12.0 mt -79.07 138.76 38.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.483 ' HE2' HD13 ' A' ' 77' ' ' LEU . 44.2 m-85 -124.3 168.25 13.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.43 ' HD3' ' HA ' ' A' ' 85' ' ' ILE . 4.1 ptt85 -152.45 169.96 21.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.518 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 9.3 t80 -111.53 139.96 22.62 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.664 0.745 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.4 Cg_endo -69.8 149.31 66.45 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.279 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.845 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -40.09 -46.66 2.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.918 0.389 . . . . 0.0 110.921 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -91.86 -44.84 8.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.32 167.27 28.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.521 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -127.27 139.14 53.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.895 0.378 . . . . 0.0 110.79 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 p -59.25 -34.51 72.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.75 49.36 0.94 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.459 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 4.4 p90 -47.49 -44.55 25.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.925 0.393 . . . . 0.0 110.951 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.459 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 11.5 tpt180 -51.57 -59.24 4.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.38 -50.78 70.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.8 m -39.77 -46.28 1.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -63.04 -50.97 68.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.507 ' O ' HG12 ' A' ' 17' ' ' VAL . 11.8 mt -48.63 -53.5 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.555 ' O ' HG23 ' A' ' 18' ' ' THR . 30.6 t-105 -57.82 -41.79 82.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -63.16 -37.0 85.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.442 ' O ' HG22 ' A' ' 19' ' ' THR . 17.1 tt0 -71.25 -61.76 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 13' ' ' LEU . 6.6 p -50.45 -34.49 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.815 HG22 ' CE1' ' A' ' 76' ' ' PHE . 39.6 p -75.52 -53.38 8.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.442 HG22 ' O ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -57.8 -37.71 74.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.567 ' HB2' HD21 ' A' ' 53' ' ' LEU . 26.8 m -72.01 -56.81 4.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.437 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 18.9 t80 -44.19 -58.82 2.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 103' ' ' PHE . 4.6 ttm180 -44.26 -43.57 7.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -66.6 -32.79 74.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . -33.55 -40.26 0.12 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.515 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.547 ' N ' ' CD ' ' A' ' 26' ' ' PRO . 34.6 mmm 60.73 47.82 1.45 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.524 0.678 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 25' ' ' MET . 53.8 Cg_endo -69.7 3.55 2.68 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.726 2.284 . . . . 0.0 112.333 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.56 HD22 ' HB3' ' A' ' 39' ' ' ASN . 82.0 mt -78.12 176.17 9.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 54.59 43.31 30.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.825 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -157.84 103.17 1.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -160.1 160.24 32.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -83.0 14.0 3.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -65.3 118.99 10.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -72.86 -64.87 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -98.18 143.85 28.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -56.67 101.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -117.99 -38.0 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -134.73 153.31 52.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.07 -149.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.56 ' HB3' HD22 ' A' ' 27' ' ' LEU . 9.8 m-20 -84.68 106.29 16.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.936 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.0 m -135.43 151.93 50.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -125.16 130.58 52.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 70.0 p -70.43 137.09 50.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.156 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.431 ' O ' HG23 ' A' ' 47' ' ' VAL . . . -39.74 -48.25 2.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.26 -61.38 4.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -48.14 -45.21 32.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.22 81.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 43' ' ' ALA . 86.2 t -40.57 -44.98 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -71.64 -61.03 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.495 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 1.6 t-105 -43.95 -57.63 3.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.414 HD11 ' CG2' ' A' ' 17' ' ' VAL . 60.8 tp -62.26 -44.45 96.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.402 ' CB ' ' O ' ' A' ' 47' ' ' VAL . 15.9 t80 -53.71 -66.9 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -42.16 -42.63 3.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.567 HD21 ' HB2' ' A' ' 20' ' ' SER . 13.6 tp -65.28 -37.68 87.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.67 -60.62 2.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 7.6 ptm180 -50.41 -36.64 33.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.455 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 3.5 t-20 -50.38 -39.34 46.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -65.17 176.99 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.4 m -92.03 -40.89 10.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.404 ' CG ' HD11 ' A' ' 13' ' ' LEU . 10.4 m120 -57.77 -48.52 79.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -80.24 -42.68 22.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.562 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 52.44 -178.87 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -4.69 14.53 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.712 2.274 . . . . 0.0 112.282 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.05 -39.89 72.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 61' ' ' GLY . 13.7 p -52.63 147.51 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 66' ' ' ARG . 14.2 t -135.8 163.36 30.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 65' ' ' THR . 1.1 mpp_? -34.33 -51.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -40.31 -52.99 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -66.02 -45.44 81.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.1 m -52.78 -52.48 56.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.193 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 18.7 mt -57.81 -39.76 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -59.85 -41.33 91.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.0 tp -74.46 -39.99 62.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 tp -51.73 -34.02 37.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.553 ' HG2' HG22 ' A' ' 94' ' ' VAL . 25.5 mtt180 -61.35 -44.36 97.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -53.26 -48.9 67.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.815 ' CE1' HG22 ' A' ' 18' ' ' THR . 70.9 m-85 -48.87 -63.59 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.612 HD22 ' CG1' ' A' ' 94' ' ' VAL . 4.6 tp -49.63 -33.58 15.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -73.46 -38.78 65.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -77.69 6.55 7.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.6 t60 67.36 32.83 5.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.58 ' O ' ' CE1' ' A' ' 103' ' ' PHE . 83.3 t -85.89 -29.65 6.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.404 ' O ' HD12 ' A' ' 77' ' ' LEU . 21.8 pt -141.8 126.65 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.486 ' CG ' ' HG3' ' A' ' 102' ' ' ARG . 13.6 pt-20 -103.53 167.92 9.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -90.6 162.99 14.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.5 tp -41.7 -32.84 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -89.83 -41.16 11.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 128.17 38.87 0.36 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.467 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -94.34 117.41 30.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 57.9 p-90 -145.29 158.76 43.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 110.19 -35.48 4.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.558 ' O ' HD23 ' A' ' 77' ' ' LEU . 90.1 p -79.57 169.43 18.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.352 . . . . 0.0 110.837 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -117.29 17.82 14.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -90.68 104.93 17.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.612 ' CG1' HD22 ' A' ' 77' ' ' LEU . 35.5 m -152.05 146.64 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -139.62 178.05 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -80.31 13.14 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -58.4 178.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -85.88 17.93 3.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -59.67 125.92 25.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 43.7 mt -71.93 151.26 43.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -144.0 170.09 16.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.486 ' HG3' ' CG ' ' A' ' 83' ' ' GLU . 4.6 ptm85 -162.32 177.13 9.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.586 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 2.7 t80 -99.22 140.81 21.95 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.693 0.759 . . . . 0.0 110.807 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.586 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 54.0 Cg_endo -69.73 174.29 9.7 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.657 2.238 . . . . 0.0 112.353 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.855 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 p -59.54 -31.88 69.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.924 0.393 . . . . 0.0 110.901 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -79.44 114.3 18.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.85 42.24 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -86.88 -49.64 7.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.899 0.38 . . . . 0.0 110.877 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.2 m -62.77 -59.06 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.26 46.43 3.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.556 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 5.9 p90 -74.19 -49.41 23.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.896 0.379 . . . . 0.0 110.873 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.556 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 53.3 ttp180 -36.1 -45.07 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.77 -42.64 60.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 8' ' ' TYR . 98.9 m -57.89 -45.45 86.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -51.57 -58.1 7.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.55 HD21 ' CE2' ' A' ' 60' ' ' PHE . 20.0 tp -53.4 -60.49 3.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.605 ' O ' HG23 ' A' ' 18' ' ' THR . 48.2 t-105 -48.87 -44.5 39.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -62.61 -33.46 75.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -75.44 -60.81 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.485 HG12 ' O ' ' A' ' 13' ' ' LEU . 3.4 p -52.04 -41.63 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 14' ' ' TRP . 44.3 p -64.84 -52.52 56.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.3 m -58.2 -52.16 66.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.6 m -60.13 -50.17 74.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -54.65 -57.65 10.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.577 ' HG3' ' CZ ' ' A' ' 103' ' ' PHE . 1.1 ttm180 -37.97 -63.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -64.74 -33.13 75.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.578 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . -33.89 -91.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 17.2 mmt -81.27 124.88 80.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.707 . . . . 0.0 110.847 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -175.14 1.06 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.618 2.212 . . . . 0.0 112.366 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.7 mt -112.09 -35.75 5.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -73.49 -40.54 64.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.83 119.64 25.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.453 ' O ' ' C ' ' A' ' 31' ' ' ARG . 17.8 p-80 -165.45 161.27 18.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 30' ' ' HIS . 21.7 mmt85 -34.29 -65.48 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.468 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . 2.6 tp60 -56.7 133.06 53.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.401 ' O ' ' HD2' ' A' ' 35' ' ' LYS . 8.1 t-80 -107.34 -23.13 12.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -62.49 -11.79 18.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.401 ' HD2' ' O ' ' A' ' 33' ' ' HIS . 3.1 mptt 60.96 41.52 14.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -95.69 -37.78 10.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 32' ' ' GLN . 6.0 m-30 -41.05 -63.6 0.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.58 60.04 0.52 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.447 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 62.51 47.84 4.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.815 0.34 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 98.8 m -128.26 170.8 12.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -156.81 143.05 18.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.501 ' N ' HD23 ' A' ' 100' ' ' LEU . 64.1 p -62.05 142.65 57.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.123 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' GLY . . . -66.87 -46.6 74.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' ALA . . . -35.49 -59.0 0.85 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.519 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -57.61 -41.25 80.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.74 -45.1 78.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.9 t -48.05 -49.45 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -65.4 -46.87 78.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.585 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 1.2 t-105 -54.07 -55.19 29.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.3 tp -63.21 -50.58 69.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -49.24 -62.43 1.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -46.2 -45.43 16.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.581 HD13 ' CH2' ' A' ' 49' ' ' TRP . 8.3 tp -61.2 -42.7 99.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.34 -63.42 1.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 4.7 ptm180 -50.0 -36.83 30.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.468 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 23.7 t-20 -51.99 -34.94 44.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.4 ' ND2' ' HB2' ' A' ' 59' ' ' ASN . 62.2 t30 -78.89 172.76 13.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.6 m -84.51 -49.73 8.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.812 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.4 ' HB2' ' ND2' ' A' ' 57' ' ' ASN . 11.8 m-20 -42.0 -59.86 1.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.55 ' CE2' HD21 ' A' ' 13' ' ' LEU . 84.0 m-85 -75.06 -37.96 61.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.818 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.41 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 55.49 177.35 0.22 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -12.25 32.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.389 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.75 -37.22 86.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 61' ' ' GLY . 9.7 p -55.03 131.68 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.16 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.7 t -115.4 163.84 15.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 67' ' ' GLN . 12.1 ttm180 -40.57 -53.47 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' ARG . 36.8 mt-30 -34.33 -62.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -54.66 -42.75 71.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 66' ' ' ARG . 41.1 m -55.34 -51.21 67.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.472 HD13 ' OD1' ' A' ' 95' ' ' ASP . 84.7 mt -56.73 -44.11 80.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -60.93 -44.95 96.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 47.2 tp -62.22 -55.37 29.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.7 tp -38.99 -37.76 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.571 ' HG2' HG22 ' A' ' 94' ' ' VAL . 48.9 mtt180 -55.3 -57.21 12.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -41.07 -57.92 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.58 ' CE1' HG22 ' A' ' 18' ' ' THR . 19.3 m-85 -44.33 -52.31 7.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.543 HD21 ' HB3' ' A' ' 91' ' ' SER . 13.9 tp -54.51 -40.29 68.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.937 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -74.61 -30.71 61.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -81.44 14.83 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 58.72 32.15 21.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.597 ' O ' ' CE1' ' A' ' 103' ' ' PHE . 61.7 t -88.32 -33.39 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.7 pt -139.63 119.58 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.417 ' CG ' ' HG2' ' A' ' 102' ' ' ARG . 10.5 pt-20 -95.22 151.92 18.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.15 159.35 24.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 102' ' ' ARG . 3.9 tt -42.78 -26.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.03 -44.7 9.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 127.11 46.29 0.2 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.465 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -105.12 120.15 40.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.758 0.314 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 32.2 p-90 -118.01 16.48 14.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -146.99 52.92 0.55 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.543 ' HB3' HD21 ' A' ' 77' ' ' LEU . 1.1 t -111.3 -28.85 8.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 91' ' ' SER . 7.4 pt-20 48.76 32.05 3.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -136.55 105.42 5.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.571 HG22 ' HG2' ' A' ' 74' ' ' ARG . 17.4 m -142.99 161.43 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.472 ' OD1' HD13 ' A' ' 70' ' ' ILE . 23.3 t70 -163.9 177.99 8.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -74.5 5.29 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.4 ' ND2' ' HB3' ' A' ' 95' ' ' ASP . 55.2 m-20 -54.55 178.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -80.84 16.07 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -69.71 120.62 15.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.501 HD23 ' N ' ' A' ' 42' ' ' THR . 34.2 mt -75.41 165.48 25.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.546 ' CZ ' HG12 ' A' ' 94' ' ' VAL . 56.0 m-85 -156.13 163.11 40.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.437 ' HD3' ' HA ' ' A' ' 85' ' ' ILE . 1.3 ptt180 -149.85 172.77 14.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 81' ' ' VAL . 4.4 t80 -108.9 140.67 22.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.644 0.735 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.6 Cg_endo -69.69 149.79 67.79 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.819 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.4 p -78.63 117.18 19.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.868 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 m -121.09 122.74 40.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.817 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.06 128.63 1.1 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 m -130.54 177.48 7.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.877 0.37 . . . . 0.0 110.845 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -146.89 105.54 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.831 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.57 41.06 99.84 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.417 ' O ' ' C ' ' A' ' 9' ' ' ARG . 11.2 p90 -43.68 -59.5 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 110.88 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 21.6 ptt180 -35.41 -40.73 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.472 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -84.33 -50.31 7.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.5 m -45.26 -43.2 10.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -59.24 -56.27 24.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.907 HD21 ' CE1' ' A' ' 60' ' ' PHE . 58.9 tp -60.6 -58.27 9.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 42.7 t-105 -46.25 -44.08 16.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -67.21 -38.13 84.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.69 -55.16 18.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.691 HG23 HD23 ' A' ' 53' ' ' LEU . 4.4 p -57.68 -42.69 82.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.166 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.407 ' N ' HG13 ' A' ' 17' ' ' VAL . 8.0 p -64.3 -52.48 58.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.9 m -45.95 -52.64 11.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.583 ' HB3' HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -60.15 -42.92 95.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.831 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.523 ' CZ ' HG21 ' A' ' 82' ' ' ILE . 37.2 t80 -50.79 -50.09 56.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.403 ' HD2' ' C ' ' A' ' 22' ' ' ARG . 5.2 tmm_? -46.9 -60.2 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.04 -63.65 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.06 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.549 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . 41.04 -136.57 2.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.3 mtm -94.58 154.02 40.17 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.514 0.673 . . . . 0.0 110.934 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 166.18 28.43 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.349 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.807 HD13 ' OD1' ' A' ' 39' ' ' ASN . 5.9 mt -68.19 116.3 8.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.6 mmm-85 -75.91 -64.96 0.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -167.11 169.66 12.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -105.95 135.57 47.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.466 ' O ' ' C ' ' A' ' 32' ' ' GLN . 11.0 ttt85 -97.93 -57.13 2.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.52 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 24.1 tp60 -32.56 -48.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 32' ' ' GLN . 47.1 m-70 -168.55 177.97 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.53 ' O ' ' CG ' ' A' ' 35' ' ' LYS . 26.0 m-85 -118.4 122.95 44.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.53 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 11.7 pttp 50.93 33.84 9.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.0 tttt -108.87 -30.31 8.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 32' ' ' GLN . 6.5 p90 -138.52 159.3 42.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.93 162.29 0.86 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.807 ' OD1' HD13 ' A' ' 27' ' ' LEU . 7.6 t-20 -63.27 102.02 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.781 0.324 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.7 m -133.36 172.11 13.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -130.71 137.33 49.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.5 p -70.03 142.11 52.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.644 ' HB2' ' CE2' ' A' ' 101' ' ' PHE . . . -49.97 -43.76 50.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -45.71 -54.16 8.02 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -54.6 -45.89 73.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.346 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -50.51 -35.82 31.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.542 ' O ' HG21 ' A' ' 69' ' ' THR . 99.4 t -54.41 -52.92 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -65.25 -50.34 66.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.679 ' CH2' HD13 ' A' ' 53' ' ' LEU . 1.5 t-105 -52.49 -47.64 66.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.3 tp -71.74 -40.11 69.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 51' ' ' TYR . 2.1 t80 -51.75 -53.12 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.977 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.524 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 2.7 t70 -55.65 -41.86 74.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.691 HD23 HG23 ' A' ' 17' ' ' VAL . 6.2 tp -60.78 -49.01 79.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.467 HD11 HD23 ' A' ' 72' ' ' LEU . 21.7 mt -70.3 -62.64 1.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.505 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -42.61 -39.68 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 52' ' ' ASP . 25.6 m-20 -65.71 -40.04 91.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -64.21 160.22 18.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.7 t -86.23 -44.88 11.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -41.79 -53.0 3.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.907 ' CE1' HD21 ' A' ' 13' ' ' LEU . 92.5 m-85 -86.71 -42.69 13.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 55' ' ' ARG . . . 81.14 168.67 40.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -13.92 35.23 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.721 2.281 . . . . 0.0 112.31 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -60.51 -20.92 61.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.1 p -54.7 133.99 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.4 p -123.0 166.16 15.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.452 ' NH1' ' HB3' ' A' ' 66' ' ' ARG . 17.0 ttp-105 -38.7 -53.96 1.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -48.77 -50.88 31.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.08 -47.55 85.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.542 HG21 ' O ' ' A' ' 47' ' ' VAL . 28.4 m -53.22 -46.02 68.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.1 mt -64.97 -44.58 96.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -52.51 -52.94 52.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.467 HD23 HD11 ' A' ' 54' ' ' LEU . 61.3 tp -60.48 -42.55 96.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.2 tp -46.17 -43.65 15.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.452 ' HG2' HG22 ' A' ' 94' ' ' VAL . 46.3 mtt180 -45.18 -45.2 11.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -56.3 -50.34 71.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -45.51 -63.12 1.03 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 25.1 tp -53.89 -35.44 61.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -66.32 -41.45 89.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -81.35 15.49 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.527 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 2.0 t60 57.74 32.37 21.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.1 t -81.25 -34.17 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.523 HG21 ' CZ ' ' A' ' 21' ' ' PHE . 20.0 pt -138.43 123.58 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -101.08 149.9 23.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.29 170.75 15.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.726 HG23 ' HD3' ' A' ' 86' ' ' LYS . 3.2 tp -59.25 -33.92 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.726 ' HD3' HG23 ' A' ' 85' ' ' ILE . 1.1 mppt? -85.93 -43.87 12.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 126.23 41.47 0.33 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.526 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -82.61 17.96 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.755 0.312 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -52.13 158.88 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.87 34.17 43.75 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 38.1 m -142.56 177.96 7.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.353 . . . . 0.0 110.877 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -117.53 -28.57 6.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -52.08 103.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 94' ' ' VAL . 35.6 m -144.46 116.42 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -111.09 168.15 9.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.85 15.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -63.36 178.59 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -80.78 15.65 1.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -56.34 114.56 2.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.469 HD13 ' CD2' ' A' ' 37' ' ' TYR . 72.6 mt -63.87 142.38 58.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.644 ' CE2' ' HB2' ' A' ' 43' ' ' ALA . 14.6 m-85 -131.34 175.85 8.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.2 ptm85 -165.56 169.67 15.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.516 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 30.0 t80 -112.14 139.0 21.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.516 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.5 Cg_endo -69.82 -173.57 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.252 . . . . 0.0 112.322 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 179.906 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 p -64.15 -51.45 63.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 110.851 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -103.09 174.42 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.89 -169.19 44.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.429 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.4 p -140.93 128.44 21.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 0.0 110.825 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -92.54 -56.61 2.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.9 55.13 0.58 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.559 ' CD2' ' HD2' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -63.35 -41.42 98.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.924 0.393 . . . . 0.0 110.972 -179.846 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.559 ' HD2' ' CD2' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -50.01 -38.73 38.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.87 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.1 -44.06 14.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.1 m -51.18 -44.3 61.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.103 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.1 tttt -50.07 -48.56 53.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.509 ' O ' HG23 ' A' ' 17' ' ' VAL . 7.9 mt -73.74 -52.92 11.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.521 ' O ' HG23 ' A' ' 18' ' ' THR . 64.3 t-105 -45.24 -47.74 12.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -66.24 -58.66 4.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -44.69 -48.63 10.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 13' ' ' LEU . 58.3 t -60.8 -58.99 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 14' ' ' TRP . 58.4 p -48.88 -42.14 35.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.178 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.9 m -57.08 -52.08 66.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.744 ' HB2' HD21 ' A' ' 53' ' ' LEU . 21.0 m -63.96 -60.5 3.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -50.76 -56.17 13.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -46.84 -46.01 20.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -63.87 -42.3 97.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.458 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . -34.5 -76.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.594 ' N ' ' CD ' ' A' ' 26' ' ' PRO . 3.0 ttt 67.53 44.5 0.32 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.557 0.694 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 25' ' ' MET . 53.4 Cg_endo -69.78 126.95 13.89 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.9 mt -126.98 120.58 29.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.441 ' O ' ' NE2' ' A' ' 30' ' ' HIS . 9.8 ttm180 -119.09 167.28 11.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 30' ' ' HIS . 18.9 tptt -52.68 149.15 6.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.493 ' CG ' HD21 ' A' ' 100' ' ' LEU . 8.1 m80 -127.79 131.81 49.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -46.9 -41.32 15.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.683 ' NE2' ' CD2' ' A' ' 37' ' ' TYR . 17.4 mt-30 -52.64 141.9 19.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -117.8 15.42 14.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.803 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -88.49 177.85 6.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.7 ptpt -85.15 -28.69 25.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.606 ' O ' ' CG ' ' A' ' 37' ' ' TYR . 4.9 ptpt -52.31 179.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.683 ' CD2' ' NE2' ' A' ' 32' ' ' GLN . 50.0 p90 48.34 38.55 10.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.499 ' C ' ' O ' ' A' ' 37' ' ' TYR . . . -30.04 -46.88 0.11 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.482 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -144.31 102.12 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.785 0.326 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.471 ' CB ' ' O ' ' A' ' 101' ' ' PHE . 64.2 m -137.68 155.53 49.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -118.54 127.7 53.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 81.7 p -67.51 133.19 49.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.23 -50.72 6.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.48 -53.08 13.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.436 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -56.1 -44.34 78.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.855 0.36 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.06 -37.6 72.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.4 ' O ' ' CB ' ' A' ' 51' ' ' TYR . 94.3 t -51.29 -44.79 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -75.44 -48.8 21.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.464 ' CD1' ' HG3' ' A' ' 26' ' ' PRO . 5.6 t-105 -51.09 -45.61 61.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.717 HD21 HD23 ' A' ' 72' ' ' LEU . 30.5 tp -78.29 -46.54 19.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.514 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 47.2 t80 -54.15 -60.89 2.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.51 -39.09 22.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.822 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.744 HD21 ' HB2' ' A' ' 20' ' ' SER . 17.7 tp -64.46 -47.51 78.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 65.8 mt -61.23 -60.56 3.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.514 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 30.7 ptt85 -47.99 -43.71 29.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.469 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 18.1 t-20 -51.05 -37.02 42.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -80.21 150.49 30.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 59' ' ' ASN . 45.2 t -69.1 -48.5 62.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.468 ' C ' ' O ' ' A' ' 58' ' ' SER . 8.3 m120 -32.96 -54.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -87.97 -51.7 5.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.627 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 81.53 172.64 47.12 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -13.83 35.15 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.241 . . . . 0.0 112.339 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -61.89 -36.07 80.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.627 HG12 ' O ' ' A' ' 61' ' ' GLY . 14.3 p -52.58 138.45 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.1 t -114.45 173.16 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 69' ' ' THR . 12.2 mtm180 -53.57 -51.97 61.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' ARG . 0.8 OUTLIER -35.64 -52.89 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -58.55 -42.72 88.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 66' ' ' ARG . 88.9 m -55.55 -49.45 72.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 88.4 mt -57.77 -43.36 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -62.46 -45.94 90.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.717 HD23 HD21 ' A' ' 50' ' ' LEU . 18.7 tp -64.9 -47.5 77.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.0 tp -43.81 -45.69 7.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.472 ' HG2' HG22 ' A' ' 94' ' ' VAL . 56.5 mtt180 -47.62 -58.87 3.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -38.59 -57.94 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.545 ' HD1' HG11 ' A' ' 81' ' ' VAL . 72.4 m-85 -40.57 -60.74 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.496 HD11 ' O ' ' A' ' 88' ' ' ARG . 11.4 tp -53.19 -40.61 64.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -63.81 -39.93 95.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -79.29 10.76 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 63.77 32.84 13.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.545 HG11 ' HD1' ' A' ' 76' ' ' PHE . 95.8 t -83.61 -33.91 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.168 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 28.1 pt -144.23 127.92 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.466 ' CG ' ' HG3' ' A' ' 102' ' ' ARG . 17.3 pt-20 -109.42 153.41 24.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.595 ' OD1' HG22 ' A' ' 85' ' ' ILE . 2.7 t70 -74.11 161.69 29.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.621 HD13 ' HB3' ' A' ' 37' ' ' TYR . 4.7 tp -39.97 -34.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.129 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -84.63 -40.98 16.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 114.57 44.46 0.71 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.496 ' O ' HD11 ' A' ' 77' ' ' LEU . 17.4 ptp180 -97.69 102.85 14.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 30.3 p-90 -110.47 177.32 4.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 59.41 39.23 94.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.453 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.515 ' O ' ' CG ' ' A' ' 92' ' ' GLU . 57.4 m -115.86 -30.11 6.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.348 . . . . 0.0 110.865 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 91' ' ' SER . 5.2 pt-20 49.81 32.59 5.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -131.25 104.79 7.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.472 HG22 ' HG2' ' A' ' 74' ' ' ARG . 32.2 m -141.85 156.58 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -133.38 177.95 7.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 20.9 t70 -81.25 15.17 2.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -61.04 178.3 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -99.84 17.58 20.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -58.03 132.18 52.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.493 HD21 ' CG ' ' A' ' 30' ' ' HIS . 73.6 mt -67.27 143.67 56.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.471 ' O ' ' CB ' ' A' ' 40' ' ' CYS . 24.6 m-85 -135.33 175.06 9.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.466 ' HG3' ' CG ' ' A' ' 83' ' ' GLU . 3.8 ptm85 -159.56 174.0 15.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.563 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 3.4 t80 -108.42 135.48 19.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.686 0.755 . . . . 0.0 110.855 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.563 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.7 Cg_endo -69.8 -172.67 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.049 179.885 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.4 t -84.15 109.46 17.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.837 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -129.18 171.05 12.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.834 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.46 60.82 0.26 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -123.03 145.34 48.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.927 0.394 . . . . 0.0 110.857 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 m -139.61 152.73 47.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.826 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.02 46.52 3.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' ARG . 22.8 p90 -74.86 -52.01 12.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.915 0.388 . . . . 0.0 110.936 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' TYR . 7.4 ptm180 -37.71 -44.46 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.77 -52.87 8.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.8 m -40.37 -60.76 1.03 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 13' ' ' LEU . 2.9 ttmp? -39.57 -57.89 1.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.509 ' O ' HG23 ' A' ' 17' ' ' VAL . 13.0 tp -36.9 -50.78 0.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.483 ' CZ2' ' ND2' ' A' ' 79' ' ' ASN . 53.2 t-105 -57.56 -51.47 69.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -56.76 -47.2 80.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -54.73 -44.11 73.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.608 HG12 ' HZ ' ' A' ' 76' ' ' PHE . 91.9 t -64.29 -62.24 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.1 p -50.97 -39.73 56.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.3 m -59.8 -54.23 48.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.443 ' HB3' HD13 ' A' ' 53' ' ' LEU . 2.8 m -66.24 -56.06 13.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.413 ' O ' ' C ' ' A' ' 22' ' ' ARG . 34.6 t80 -46.74 -63.99 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.463 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 4.6 tmm_? -35.71 -60.34 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -60.22 -63.31 1.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . 34.55 -124.43 0.52 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.458 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.5 ptp -140.56 149.32 56.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.494 0.664 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 175.08 8.61 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.659 2.239 . . . . 0.0 112.338 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.735 HD23 ' H ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -92.92 118.17 30.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -68.83 -59.03 3.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.419 ' C ' ' HD2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -166.06 166.94 16.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 31' ' ' ARG . 4.9 m-70 -158.96 172.97 17.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' HIS . 24.4 mmt180 -38.15 -55.78 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 2.3 pp0? -58.49 171.78 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.46 ' N ' ' CD ' ' A' ' 32' ' ' GLN . 20.8 t-80 -154.7 157.93 38.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.54 ' O ' ' CG ' ' A' ' 35' ' ' LYS . 27.7 t80 60.64 36.02 19.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.54 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 10.7 ptpt 51.34 34.38 11.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 35' ' ' LYS . 1.1 mtpm? -34.81 -49.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 32' ' ' GLN . 2.1 m-85 -88.17 -68.09 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 162.15 42.14 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.472 ' OD1' HD21 ' A' ' 27' ' ' LEU . 3.4 t-20 64.01 45.29 4.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.934 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.442 ' SG ' HD22 ' A' ' 100' ' ' LEU . 25.0 p -105.01 164.12 12.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -129.05 157.17 42.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 81.4 p -79.67 163.61 24.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.132 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.6 -43.43 84.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.83 -63.28 3.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.534 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -46.01 -41.89 12.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.367 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.93 -44.24 91.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.713 HG21 ' HB2' ' A' ' 96' ' ' ASP . 71.5 t -49.13 -43.98 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -64.06 -49.87 70.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.494 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 2.5 t-105 -56.58 -49.43 74.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.916 HD22 HG23 ' A' ' 69' ' ' THR . 3.8 tt -63.16 -47.68 81.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -45.98 -59.45 2.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -53.64 -42.06 67.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.443 HD13 ' HB3' ' A' ' 20' ' ' SER . 27.9 tp -59.29 -42.06 90.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.549 ' HG ' HD23 ' A' ' 50' ' ' LEU . 78.1 mt -62.78 -63.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.45 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 10.1 ptm180 -49.31 -41.95 39.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.45 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 4.3 t-20 -45.5 -37.88 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -71.68 177.07 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.1 t -95.62 -44.28 7.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -52.98 -52.65 57.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -70.97 -60.6 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.75 176.55 45.71 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.5 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -9.25 25.64 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.674 2.249 . . . . 0.0 112.381 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -68.73 -28.16 66.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.1 p -53.87 137.66 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.434 HG23 ' HB2' ' A' ' 67' ' ' GLN . 14.1 t -115.29 155.07 27.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.18 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.486 ' HG3' HG11 ' A' ' 47' ' ' VAL . 15.2 ttm105 -40.26 -52.58 2.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.434 ' HB2' HG23 ' A' ' 65' ' ' THR . 33.1 mt-30 -38.55 -48.35 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -56.25 -44.4 79.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.916 HG23 HD22 ' A' ' 50' ' ' LEU . 25.8 m -54.6 -48.31 72.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 60.1 mt -59.3 -40.79 82.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -64.58 -52.64 56.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.76 HD23 HD21 ' A' ' 50' ' ' LEU . 24.3 tp -59.93 -41.75 92.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.8 tp -50.56 -41.36 54.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -47.71 -38.4 15.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 53.7 mttp -64.47 -45.91 85.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.608 ' HZ ' HG12 ' A' ' 17' ' ' VAL . 25.1 m-85 -48.66 -49.3 38.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.517 HD22 ' CG1' ' A' ' 94' ' ' VAL . 24.6 tp -67.96 -41.35 82.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 2.0 pttp -60.84 -32.78 72.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.483 ' ND2' ' CZ2' ' A' ' 14' ' ' TRP . 28.0 m-20 -88.1 6.55 35.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.56 ' CE1' ' CD2' ' A' ' 89' ' ' TRP . 6.2 t-160 65.07 35.03 8.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.805 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.1 t -81.51 -29.5 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.12 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 22.3 pt -139.43 125.68 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.438 ' CD ' ' HA2' ' A' ' 87' ' ' GLY . 6.4 tt0 -100.1 133.62 44.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.416 ' HA ' ' CD1' ' A' ' 101' ' ' PHE . 1.5 m-20 -54.9 177.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.411 HD13 ' SG ' ' A' ' 40' ' ' CYS . 3.8 tp -67.36 -32.12 55.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.077 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -83.59 -45.88 13.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.438 ' HA2' ' CD ' ' A' ' 83' ' ' GLU . . . 136.82 42.2 0.11 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.522 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -101.75 112.38 24.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.935 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.56 ' CD2' ' CE1' ' A' ' 80' ' ' HIS . 31.5 p-90 -133.56 149.03 51.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 106.91 -33.22 6.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.0 p -73.36 175.63 6.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.419 ' O ' HG22 ' A' ' 94' ' ' VAL . 36.5 mt-10 -118.0 -21.74 8.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -53.54 101.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 94' ' ' VAL . 24.0 m -140.77 107.84 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.12 166.98 13.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.713 ' HB2' HG21 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -114.27 17.2 17.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -91.68 -64.78 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 98' ' ' ASN . 10.5 p-10 -156.85 102.79 2.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -154.35 102.12 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.442 HD22 ' SG ' ' A' ' 40' ' ' CYS . 82.6 mt -65.87 138.96 58.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 84' ' ' ASP . 29.4 m-85 -134.28 163.8 28.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.408 ' NH1' ' HB2' ' A' ' 102' ' ' ARG . 1.4 ptm85 -153.1 115.1 4.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.869 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.518 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 19.5 t80 -57.72 139.35 81.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.7 Cg_endo -69.72 164.11 35.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.668 2.246 . . . . 0.0 112.367 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.058 179.88 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.3 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.834 0.349 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -54.6 -55.83 25.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.451 HD21 ' CE1' ' A' ' 60' ' ' PHE . 32.5 tp -49.5 -60.13 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.972 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -46.84 -52.48 14.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -57.21 -48.2 79.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.27 -56.45 18.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.4 t -58.19 -58.21 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.6 p -50.28 -38.82 43.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.1 m -64.73 -42.71 95.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.125 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.49 ' OG ' HD21 ' A' ' 53' ' ' LEU . 80.7 p -70.71 -42.78 70.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.819 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' ' 21' ' ' PHE . 8.2 t80 -64.18 -57.19 10.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.4 ' CG ' ' CZ ' ' A' ' 103' ' ' PHE . 0.3 OUTLIER -41.89 -51.67 4.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -77.24 -64.06 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.459 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 87.8 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.819 0.342 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -145.08 141.19 28.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.0 p -69.81 138.93 53.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.542 ' HB2' ' HE2' ' A' ' 101' ' ' PHE . . . -45.42 -48.64 13.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.16 -66.81 0.85 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -41.75 -46.98 3.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 0.0 110.917 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.17 -44.32 79.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.644 HG21 ' HB2' ' A' ' 96' ' ' ASP . 88.0 t -43.99 -43.86 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -72.25 -55.37 7.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.589 ' CE3' ' O ' ' A' ' 49' ' ' TRP . 2.4 t-105 -47.15 -43.38 20.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.3 tp -78.97 -51.11 10.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -47.01 -58.76 3.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -54.78 -40.78 69.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.49 HD21 ' OG ' ' A' ' 20' ' ' SER . 3.8 tp -63.73 -34.42 77.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.8 mt -70.14 -57.98 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.962 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -53.86 -42.39 68.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -46.69 -39.67 11.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -67.29 177.41 1.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.6 t -97.15 -38.2 9.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.79 -53.26 54.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.451 ' CE1' HD21 ' A' ' 13' ' ' LEU . 61.8 m-85 -80.55 -41.18 24.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.61 177.67 2.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -6.71 19.24 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -66.37 -29.63 69.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.78 130.96 29.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.1 t -108.95 164.72 12.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -45.0 -50.2 10.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -44.63 -48.19 10.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -57.67 -41.39 81.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.8 m -54.51 -53.32 55.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 34.7 mt -57.27 -43.01 81.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -60.51 -48.06 83.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.35 -48.02 77.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.6 tp -44.14 -42.9 6.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -46.37 -37.78 7.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -68.0 -41.73 81.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -51.98 -54.64 27.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 82' ' ' ILE . 20.3 tp -59.35 -38.07 79.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -66.7 -40.03 88.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -77.62 8.15 4.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 66.77 31.94 7.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.1 t -79.91 -35.14 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.419 ' O ' HD12 ' A' ' 77' ' ' LEU . 19.9 pt -141.21 124.09 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -100.28 143.72 30.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 84' ' ' ASP . 0.6 OUTLIER -60.01 169.69 1.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.43 HG23 ' N ' ' A' ' 86' ' ' LYS . 4.8 tt -62.26 -41.23 90.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.175 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.43 ' N ' HG23 ' A' ' 85' ' ' ILE . 20.5 mmtp -72.05 -48.77 41.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 134.95 36.56 0.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.525 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.4 ' O ' ' OD1' ' A' ' 84' ' ' ASP . 21.5 mmt180 -103.53 113.7 27.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.784 0.326 . . . . 0.0 110.849 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 29.3 p-90 -129.53 149.74 51.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 103.57 51.1 0.99 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.2 m -148.95 157.56 43.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 110.839 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -112.02 16.88 20.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -110.26 107.44 17.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.1 m -139.77 119.68 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.477 ' HB3' ' ND2' ' A' ' 97' ' ' ASN . 3.2 m-20 -89.03 159.96 17.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.644 ' HB2' HG21 ' A' ' 47' ' ' VAL . 14.2 p-10 -113.56 15.97 18.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.477 ' ND2' ' HB3' ' A' ' 95' ' ' ASP . 2.6 m-80 -86.2 -67.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -156.06 108.07 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -157.96 120.6 3.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 35.9 mt -80.26 127.71 32.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.542 ' HE2' ' HB2' ' A' ' 43' ' ' ALA . 36.9 m-85 -121.17 176.4 5.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.4 ptt85 -162.74 162.55 26.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.572 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 2.7 t80 -85.32 135.29 39.12 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.598 0.714 . . . . 0.0 110.938 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.572 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 54.4 Cg_endo -69.69 -174.93 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.707 2.271 . . . . 0.0 112.388 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.076 179.886 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.4 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.804 0.335 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -52.22 -43.96 64.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.6 tp -71.52 -58.62 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -49.93 -35.14 22.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -75.79 -25.47 56.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -79.64 -45.02 19.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.3 p -68.79 -32.84 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.164 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.3 p -75.55 -44.56 42.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.9 m -58.66 -48.81 79.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -68.23 -53.77 22.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.551 ' CD2' HD13 ' A' ' 50' ' ' LEU . 39.6 t80 -52.7 -52.37 56.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.407 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 1.5 tmt_? -40.11 -54.23 2.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.34 -63.37 1.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.937 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.449 ' SG ' HD13 ' A' ' 100' ' ' LEU . 19.6 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.821 0.343 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -126.36 142.4 51.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 68.0 p -62.33 143.11 57.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.613 ' HB2' ' CE1' ' A' ' 101' ' ' PHE . . . -55.85 -48.05 76.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.089 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.2 -56.22 3.37 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -50.33 -47.48 55.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 0.0 110.919 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.02 -45.04 71.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.09 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.7 t -43.48 -47.3 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -66.93 -45.86 76.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.596 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 1.5 t-105 -55.58 -51.09 68.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.551 HD13 ' CD2' ' A' ' 21' ' ' PHE . 25.9 tp -67.62 -38.53 84.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 85.9 t80 -51.62 -59.9 3.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.83 -50.95 59.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.2 tp -56.44 -43.16 79.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 69.7 mt -64.3 -64.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.565 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 14.2 ptt85 -48.51 -43.96 35.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.414 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 15.0 t-20 -45.38 -43.68 11.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.513 ' ND2' ' H ' ' A' ' 59' ' ' ASN . 8.0 t30 -72.18 174.05 7.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.436 ' N ' ' ND2' ' A' ' 57' ' ' ASN . 57.8 m -89.0 -54.83 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.513 ' H ' ' ND2' ' A' ' 57' ' ' ASN . 15.2 m120 -35.43 -55.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -79.59 -41.18 27.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.662 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 61.12 174.31 1.28 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.506 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -16.07 37.68 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.354 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -60.62 -28.56 68.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 61' ' ' GLY . 14.8 p -61.7 133.41 27.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.3 p -116.69 166.74 11.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -42.48 -53.48 4.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -43.26 -53.31 5.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -63.18 -42.31 99.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 49.1 m -54.99 -45.8 75.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.6 mt -61.83 -49.8 82.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -49.25 -44.0 43.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 47.4 tp -66.49 -45.26 80.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.0 tp -42.88 -39.77 2.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.75 ' HG2' HG22 ' A' ' 94' ' ' VAL . 26.7 mtt-85 -50.68 -46.3 58.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -52.51 -56.46 15.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.565 ' HD2' HG11 ' A' ' 81' ' ' VAL . 81.6 m-85 -42.85 -60.09 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 82' ' ' ILE . 21.0 tp -52.67 -42.35 64.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.411 ' HD2' ' C ' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -63.36 -38.77 92.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.845 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -78.98 9.59 4.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.432 ' CG ' ' O ' ' A' ' 80' ' ' HIS . 23.5 t-160 65.77 32.32 8.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.565 HG11 ' HD2' ' A' ' 76' ' ' PHE . 99.2 t -82.52 -37.03 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.496 ' O ' HD12 ' A' ' 77' ' ' LEU . 15.9 pt -140.19 126.26 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -102.38 151.45 22.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -81.41 154.36 26.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 86' ' ' LYS . 10.4 tt -43.28 -42.1 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.436 ' N ' HG23 ' A' ' 85' ' ' ILE . 47.3 mmtt -80.77 -43.79 19.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 127.65 53.86 0.13 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.454 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? -91.31 17.61 8.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 9.3 p-90 -59.79 150.23 28.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 102.09 -32.81 7.1 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.533 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 85.6 p -88.97 172.27 9.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.441 ' O ' ' NH1' ' A' ' 74' ' ' ARG . 16.9 pt-20 -117.97 17.55 14.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 65.1 t-20 -90.08 108.61 19.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.75 HG22 ' HG2' ' A' ' 74' ' ' ARG . 33.7 m -140.37 163.09 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.084 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 94' ' ' VAL . 4.3 m-20 -161.86 168.94 22.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.52 10.56 5.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -57.21 177.17 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -78.66 10.17 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -63.33 107.56 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.449 HD13 ' SG ' ' A' ' 40' ' ' CYS . 8.4 mt -60.26 166.38 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.613 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 33.0 m-85 -145.18 170.44 16.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -155.19 171.19 20.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.523 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 27.1 t80 -110.27 139.3 21.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.9 Cg_endo -69.76 155.85 64.85 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.688 2.258 . . . . 0.0 112.352 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.895 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.859 0.361 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -44.48 -28.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 mt -74.12 -58.16 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.575 ' O ' HG23 ' A' ' 18' ' ' THR . 62.0 t-105 -51.39 -41.86 60.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -64.16 -54.37 34.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -54.13 -46.7 72.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.4 t -60.15 -63.09 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 14' ' ' TRP . 74.3 p -44.27 -41.42 5.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.143 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.1 m -63.16 -59.09 5.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.453 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.1 m -49.19 -49.24 43.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.426 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 13.8 t80 -47.08 -62.02 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -51.71 -65.58 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -51.11 -27.32 8.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.535 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 99.2 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.866 0.365 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.417 ' O ' ' CD1' ' A' ' 41' ' ' PHE . 32.8 p90 -139.9 133.56 30.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 44.6 p -59.79 150.04 29.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.161 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.04 -51.47 69.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 45' ' ' GLU . . . -41.0 -69.48 0.5 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 44' ' ' GLY . 24.1 tt0 -36.06 -56.18 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.873 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.47 -46.93 9.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.078 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.46 ' CG1' ' HG3' ' A' ' 66' ' ' ARG . 65.3 t -45.65 -41.5 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -68.05 -52.65 32.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.595 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 1.1 t-105 -54.21 -54.4 40.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.8 tp -63.48 -48.17 78.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.682 ' HA ' HD12 ' A' ' 54' ' ' LEU . 64.4 t80 -50.61 -63.17 1.21 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -44.15 -46.55 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.87 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.453 HD21 ' HB2' ' A' ' 20' ' ' SER . 14.6 tp -61.98 -43.31 99.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 51' ' ' TYR . 13.9 mt -60.81 -56.02 26.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 9.5 ptm180 -57.68 -42.17 83.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.456 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 20.2 t-20 -50.1 -38.07 36.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -68.2 174.12 4.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.8 t -94.46 -51.71 4.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -38.8 -59.21 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -77.83 -42.23 34.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.601 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 66.66 178.96 10.01 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -16.18 37.27 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.644 2.229 . . . . 0.0 112.33 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -55.42 -35.72 65.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 61' ' ' GLY . 14.7 p -59.72 134.47 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 66' ' ' ARG . 14.8 t -115.84 162.84 16.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.46 ' HG3' ' CG1' ' A' ' 47' ' ' VAL . 23.9 ttt-85 -37.72 -49.81 1.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -41.02 -53.01 3.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.426 ' CB ' HG23 ' A' ' 64' ' ' VAL . 21.8 mm100 -54.69 -43.57 72.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.1 m -54.34 -49.43 69.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.189 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 62.1 mt -59.92 -41.27 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -65.14 -50.34 66.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.6 tp -61.25 -47.37 86.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.4 tp -43.53 -45.17 6.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -43.15 -37.32 2.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.436 ' HA ' ' HZ1' ' A' ' 78' ' ' LYS . 42.7 mttm -70.65 -39.66 73.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -53.25 -56.04 19.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.498 HD22 ' CG1' ' A' ' 94' ' ' VAL . 36.5 tp -55.02 -44.5 74.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.436 ' HZ1' ' HA ' ' A' ' 75' ' ' LYS . 7.3 ttpm? -62.96 -36.67 84.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -81.66 16.21 1.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.419 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 23.4 t-160 60.24 32.07 20.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 67.3 t -80.92 -36.54 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.6 pt -140.7 127.48 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -104.59 148.1 26.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.417 ' HA ' ' CD1' ' A' ' 101' ' ' PHE . 0.7 OUTLIER -63.37 174.81 1.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.4 tt -73.13 -29.75 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -83.78 -46.35 12.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 133.95 44.93 0.12 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.492 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -109.92 104.07 12.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 0.0 110.906 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.53 ' CG ' ' O ' ' A' ' 89' ' ' TRP . 7.6 p-90 -130.23 119.3 22.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 141.2 37.97 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.7 p -151.61 170.0 20.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 110.854 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -117.51 17.89 14.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -96.39 103.02 14.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.498 ' CG1' HD22 ' A' ' 77' ' ' LEU . 23.1 m -144.67 124.74 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.48 153.33 21.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -79.65 11.64 3.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -80.35 178.02 8.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.05 102.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -148.65 103.6 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 18.8 mt -59.36 137.41 58.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.417 ' CD1' ' HA ' ' A' ' 84' ' ' ASP . 10.8 m-85 -132.74 172.85 12.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -152.43 166.22 32.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.518 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 4.5 t80 -105.68 140.64 21.39 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.659 0.742 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.5 Cg_endo -69.85 178.4 4.67 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.287 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.884 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 12' ' ' LYS . 92.5 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.887 0.375 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 11' ' ' THR . 10.6 tmtt? -34.58 -62.42 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.83 HD21 ' CE1' ' A' ' 60' ' ' PHE . 12.1 tp -47.52 -68.01 0.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.572 ' O ' HG23 ' A' ' 18' ' ' THR . 6.8 t-105 -41.84 -45.46 3.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -62.56 -36.61 83.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 13' ' ' LEU . 4.5 tm-20 -68.24 -56.82 7.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 18' ' ' THR . 6.3 p -57.79 -44.91 86.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.644 HG22 ' CE1' ' A' ' 76' ' ' PHE . 58.8 p -62.87 -56.04 20.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.1 m -50.1 -53.61 26.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.9 m -58.0 -46.07 85.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -56.89 -46.89 81.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.822 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 103' ' ' PHE . 1.1 ttm180 -54.2 -64.69 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -55.32 -63.23 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 28.5 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.81 0.338 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -133.45 130.18 38.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.8 p -65.26 131.08 45.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.482 ' HB2' ' CE1' ' A' ' 101' ' ' PHE . . . -38.19 -50.76 1.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.07 -53.95 28.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -46.44 -48.77 18.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.9 0.381 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.56 -44.55 85.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.465 ' O ' ' CB ' ' A' ' 51' ' ' TYR . 89.2 t -44.13 -36.08 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -79.53 -56.0 4.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.458 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 2.2 t-105 -49.38 -54.33 17.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.412 HD23 ' CG2' ' A' ' 69' ' ' THR . 22.3 tp -66.38 -41.47 89.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.465 ' CB ' ' O ' ' A' ' 47' ' ' VAL . 12.7 t80 -51.64 -62.57 1.54 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -44.67 -45.02 9.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.1 tp -62.25 -40.73 97.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.64 -52.25 65.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -62.85 -37.78 88.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -59.07 -37.91 78.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -58.18 165.33 2.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 91.5 p -97.26 -37.03 10.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -55.15 -42.81 73.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.83 ' CE1' HD21 ' A' ' 13' ' ' LEU . 3.2 m-30 -88.95 -59.56 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.465 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 95.33 175.05 37.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.439 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -2.17 9.73 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.73 2.287 . . . . 0.0 112.322 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -76.02 -24.45 55.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.465 HG12 ' O ' ' A' ' 61' ' ' GLY . 13.6 p -62.21 126.96 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.054 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.4 p -116.29 169.28 9.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.425 ' CG ' HG11 ' A' ' 47' ' ' VAL . 22.5 ttm-85 -41.61 -49.15 4.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -43.77 -47.88 8.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -66.67 -41.65 87.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.412 ' CG2' HD23 ' A' ' 50' ' ' LEU . 27.8 m -56.87 -56.1 25.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 87.4 mt -52.58 -42.45 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -57.25 -47.59 80.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 53.5 tp -67.33 -40.45 85.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.0 tp -48.53 -35.01 12.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.48 ' HG3' ' CG2' ' A' ' 94' ' ' VAL . 10.7 mtt-85 -58.27 -46.9 85.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.814 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -53.22 -61.67 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.644 ' CE1' HG22 ' A' ' 18' ' ' THR . 22.7 m-85 -39.03 -58.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.59 HD12 ' O ' ' A' ' 82' ' ' ILE . 41.1 tp -47.49 -50.53 23.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -66.73 -28.13 68.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -83.31 15.89 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.537 ' HB2' ' CZ3' ' A' ' 89' ' ' TRP . 3.2 t-160 56.15 31.98 19.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.597 ' O ' ' CE1' ' A' ' 103' ' ' PHE . 93.5 t -88.04 -36.87 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.59 ' O ' HD12 ' A' ' 77' ' ' LEU . 5.5 pt -140.76 118.66 9.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -97.36 149.82 21.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.45 ' OD1' HG22 ' A' ' 85' ' ' ILE . 1.7 t70 -76.07 178.14 6.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.45 HG22 ' OD1' ' A' ' 84' ' ' ASP . 4.2 tp -71.84 -25.56 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -84.15 -48.07 10.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 132.06 47.35 0.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.433 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.538 ' O ' HD11 ' A' ' 77' ' ' LEU . 27.1 mmt-85 -123.34 111.84 16.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' A' ' 80' ' ' HIS . 31.6 p-90 -117.32 -35.78 3.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.39 70.78 3.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.518 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.4 p -162.44 161.57 27.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.843 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.443 ' O ' ' NH1' ' A' ' 74' ' ' ARG . 7.5 pt-20 -117.88 17.76 14.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -99.93 102.7 14.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.48 ' CG2' ' HG3' ' A' ' 74' ' ' ARG . 3.5 m -143.58 132.96 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -122.43 167.13 13.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.458 ' CG ' HG21 ' A' ' 47' ' ' VAL . 12.4 m-20 -82.21 16.29 2.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -63.95 178.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -77.69 10.28 2.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -53.0 117.69 3.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.7 153.6 41.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.482 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 26.7 m-85 -141.78 172.32 12.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.405 ' HB2' ' NH1' ' A' ' 102' ' ' ARG . 0.7 OUTLIER -160.69 171.35 19.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 81' ' ' VAL . 13.2 t80 -103.42 139.64 20.31 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.632 0.73 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.8 Cg_endo -69.75 178.72 4.28 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 2.238 . . . . 0.0 112.349 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.098 179.888 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 12' ' ' LYS . 63.1 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.87 0.367 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 11' ' ' THR . 22.5 tptt -37.66 -45.08 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.544 HD21 ' HE1' ' A' ' 60' ' ' PHE . 3.7 tt -62.0 -61.44 2.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.808 ' O ' HG23 ' A' ' 18' ' ' THR . 7.9 t-105 -49.83 -45.11 49.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -61.65 -39.92 93.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -65.89 -55.09 18.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 p -61.44 -36.57 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.808 HG23 ' O ' ' A' ' 14' ' ' TRP . 57.4 p -68.25 -43.13 78.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.9 m -66.52 -39.38 88.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.7 p -66.78 -50.64 62.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -44.97 -62.29 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -46.61 -63.75 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -53.55 -28.61 32.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.555 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 25.1 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.881 0.372 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -113.36 146.24 39.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.3 p -61.53 142.22 57.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.877 ' HB2' ' CE1' ' A' ' 101' ' ' PHE . . . -56.4 -47.47 78.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.073 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.62 -70.39 0.39 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.546 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -39.9 -54.59 2.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 43' ' ' ALA . . . -42.72 -44.12 4.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.469 HG11 ' CZ ' ' A' ' 66' ' ' ARG . 91.9 t -46.66 -43.98 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -70.37 -58.66 3.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.839 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.555 ' CZ2' ' HA3' ' A' ' 24' ' ' GLY . 2.6 t-105 -45.48 -45.91 13.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.7 tp -72.3 -46.5 55.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -55.47 -63.4 1.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -45.74 -38.61 7.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 tp -68.23 -44.09 76.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 57' ' ' ASN . 26.1 mt -65.47 -62.33 1.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -43.28 -36.36 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -69.94 -37.4 75.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 54' ' ' LEU . 2.7 m120 -63.47 155.24 29.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' ASN . 30.8 t -74.59 -59.06 2.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' SER . 20.7 m-80 -35.97 -60.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.544 ' HE1' HD21 ' A' ' 13' ' ' LEU . 57.6 m-85 -73.61 -45.95 49.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.18 163.91 10.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 2.96 3.08 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.622 2.215 . . . . 0.0 112.342 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -89.87 15.53 9.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.0 p -90.59 146.57 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.4 t -119.1 159.7 23.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 69' ' ' THR . 30.0 ttt85 -41.74 -57.93 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' ARG . 49.2 mt-30 -35.56 -55.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -56.7 -40.19 75.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 66' ' ' ARG . 28.7 m -59.98 -57.15 14.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.3 mt -52.33 -45.24 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -54.87 -57.49 11.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.7 tp -53.69 -43.57 69.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 tp -49.44 -42.73 43.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.854 ' HG2' HG22 ' A' ' 94' ' ' VAL . 57.2 mtt180 -51.95 -49.82 62.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.6 -57.88 7.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.602 ' HE1' HG22 ' A' ' 18' ' ' THR . 16.9 m-85 -41.06 -58.18 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.719 HD11 ' O ' ' A' ' 88' ' ' ARG . 4.0 tp -56.26 -30.55 62.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -73.95 -42.56 60.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -77.46 11.91 1.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 67.35 33.02 5.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.538 ' O ' ' CE1' ' A' ' 103' ' ' PHE . 93.7 t -86.21 -27.77 6.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.711 ' O ' HD12 ' A' ' 77' ' ' LEU . 10.9 pt -147.43 120.58 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.447 ' CG ' ' HG3' ' A' ' 102' ' ' ARG . 16.2 pt-20 -98.92 142.34 30.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.466 ' OD2' HG22 ' A' ' 85' ' ' ILE . 24.5 t70 -81.2 159.76 24.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.467 HG23 ' HD2' ' A' ' 86' ' ' LYS . 2.7 tp -39.76 -34.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.467 ' HD2' HG23 ' A' ' 85' ' ' ILE . 0.8 OUTLIER -76.68 -48.54 18.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.858 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 120.73 37.97 0.69 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.497 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.719 ' O ' HD11 ' A' ' 77' ' ' LEU . 73.3 mtm180 -102.22 104.64 15.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 110.896 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 16.9 p-90 -112.79 17.92 18.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -125.81 58.32 0.68 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.434 ' O ' HD23 ' A' ' 77' ' ' LEU . 13.6 p -161.67 158.51 26.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 110.856 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -117.41 17.95 14.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -99.34 102.75 14.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.854 HG22 ' HG2' ' A' ' 74' ' ' ARG . 33.7 m -140.43 129.09 25.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.126 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -117.78 168.3 10.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.55 12.2 2.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -54.16 178.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -78.88 11.64 2.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -57.15 135.47 56.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 25.9 mt -87.76 142.62 27.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.877 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 60.2 m-85 -130.61 153.9 48.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.447 ' HG3' ' CG ' ' A' ' 83' ' ' GLU . 7.4 ptm180 -142.58 175.1 10.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.538 ' CE1' ' O ' ' A' ' 81' ' ' VAL . 3.7 t80 -101.26 140.63 21.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.62 0.724 . . . . 0.0 110.94 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.7 Cg_endo -69.73 162.04 43.61 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.863 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.0 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.881 0.372 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.57 -43.66 8.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.553 HD21 ' CE1' ' A' ' 60' ' ' PHE . 31.1 tp -72.46 -63.26 1.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 38.1 t-105 -42.27 -37.27 1.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -71.1 -34.32 71.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 13' ' ' LEU . 7.6 mt-10 -70.89 -50.95 29.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 18' ' ' THR . 5.8 p -61.15 -42.86 94.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.422 ' N ' HG13 ' A' ' 17' ' ' VAL . 13.0 p -62.03 -48.13 81.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.3 m -57.23 -40.98 78.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 m -69.91 -57.75 4.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -53.47 -50.15 65.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.505 ' HG2' ' CE2' ' A' ' 103' ' ' PHE . 3.6 tmt_? -43.64 -57.74 3.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -67.93 -63.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.439 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 78.4 m . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.835 0.35 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -110.98 142.61 42.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.6 p -68.92 139.6 55.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.503 ' HB2' ' CE2' ' A' ' 101' ' ' PHE . . . -51.47 -45.81 62.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.082 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -45.97 -57.24 6.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -54.24 -43.65 71.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.819 0.342 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.66 80.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 43' ' ' ALA . 93.2 t -43.79 -43.96 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.078 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -72.13 -41.8 66.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.513 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 3.4 t-105 -59.47 -41.03 88.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.532 ' HG ' HD11 ' A' ' 54' ' ' LEU . 51.7 tp -79.24 -42.36 26.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -61.23 -43.02 99.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -68.73 -23.34 64.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.505 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 6.6 tp -85.52 -27.86 25.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.532 HD11 ' HG ' ' A' ' 50' ' ' LEU . 12.7 mt -80.81 -44.09 19.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.484 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 4.8 ptm180 -53.94 -38.53 65.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -65.34 -38.23 89.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 28.0 t30 -62.18 152.91 31.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.3 m -80.56 -48.69 12.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -40.78 -58.59 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.553 ' CE1' HD21 ' A' ' 13' ' ' LEU . 88.0 m-85 -80.11 -50.33 10.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.49 172.15 48.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -6.92 19.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.634 2.223 . . . . 0.0 112.372 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -67.35 -22.25 65.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p -58.63 135.82 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' ARG . 13.2 t -126.25 162.89 24.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' THR . 18.5 mtm180 -37.49 -56.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -40.8 -63.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -52.3 -44.69 65.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.1 m -53.52 -50.1 66.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 48.9 mt -54.43 -46.9 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.125 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -60.14 -47.31 86.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 73' ' ' LEU . 65.6 tp -60.75 -56.09 25.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.578 HD23 HG21 ' A' ' 94' ' ' VAL . 10.1 tp -37.42 -43.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.494 ' HG2' HG22 ' A' ' 94' ' ' VAL . 77.3 mtt180 -46.37 -54.98 8.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -41.88 -52.56 4.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.558 ' HD2' HG11 ' A' ' 81' ' ' VAL . 77.5 m-85 -48.06 -57.72 5.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.724 HD21 ' HB2' ' A' ' 91' ' ' SER . 10.4 tp -56.53 -39.48 73.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -62.49 -42.13 99.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -79.93 12.47 2.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 61.91 32.7 17.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.558 HG11 ' HD2' ' A' ' 76' ' ' PHE . 84.4 t -82.63 -29.05 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.154 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 34.5 pt -147.39 131.08 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.477 ' CG ' ' HG3' ' A' ' 102' ' ' ARG . 9.5 pt-20 -103.93 168.53 9.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.86 172.25 8.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.797 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.453 HG23 ' N ' ' A' ' 86' ' ' LYS . 3.4 tp -37.38 -49.7 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.453 ' N ' HG23 ' A' ' 85' ' ' ILE . 2.3 mptm? -68.67 -46.74 68.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 114.1 35.19 1.52 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.4 ptp85 -103.26 113.73 27.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 0.0 110.856 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 41.8 p-90 -101.15 176.98 5.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.31 44.19 52.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.724 ' HB2' HD21 ' A' ' 77' ' ' LEU . 69.1 m -116.49 -29.58 6.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 91' ' ' SER . 8.5 pt-20 48.65 31.91 3.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -132.52 104.79 6.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.578 HG21 HD23 ' A' ' 73' ' ' LEU . 35.4 m -139.97 170.45 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -160.81 175.59 12.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -80.48 11.62 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -66.34 178.03 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.02 12.03 3.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -55.05 102.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.942 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.1 mt -56.71 147.14 23.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.503 ' CE2' ' HB2' ' A' ' 43' ' ' ALA . 24.4 m-85 -136.01 174.91 10.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.477 ' HG3' ' CG ' ' A' ' 83' ' ' GLU . 14.5 ptm180 -168.05 157.12 9.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.53 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 6.2 t80 -87.01 140.12 32.73 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.696 0.76 . . . . 0.0 110.827 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.53 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.5 Cg_endo -69.75 158.75 55.89 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 179.835 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.475 HG23 ' N ' ' A' ' 12' ' ' LYS . 8.0 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.855 0.36 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.475 ' N ' HG23 ' A' ' 11' ' ' THR . 16.2 ttmt -41.51 -30.52 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.8 tp -64.84 -57.47 8.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.957 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.405 ' CZ2' ' CG ' ' A' ' 79' ' ' ASN . 34.4 t-105 -50.09 -43.77 51.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -66.46 -35.4 80.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.485 ' C ' ' CD ' ' A' ' 16' ' ' GLU . 2.2 tp10 -68.26 -58.69 4.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.6 t -47.4 -55.57 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.2 p -47.13 -46.96 23.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.193 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.1 m -56.52 -60.25 3.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 24' ' ' GLY . 3.9 m -45.89 -55.37 6.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -47.0 -61.39 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -52.03 -58.41 6.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.83 -24.0 61.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.047 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.453 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.776 ' HB2' HD22 ' A' ' 100' ' ' LEU . 59.5 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.853 0.359 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -118.45 135.71 54.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 72.8 p -56.16 131.31 47.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.193 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.788 ' HB2' ' CE2' ' A' ' 101' ' ' PHE . . . -43.8 -36.68 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.085 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -50.1 -48.78 38.55 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.539 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -52.75 -53.64 45.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -49.48 -45.03 46.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.0 t -43.02 -42.79 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -73.99 -59.8 2.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.593 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 0.9 OUTLIER -44.39 -58.89 2.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.67 -52.1 66.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -45.0 -65.75 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -41.29 -42.97 2.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.493 HD13 ' CH2' ' A' ' 49' ' ' TRP . 5.8 tp -65.22 -46.64 79.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 73.3 mt -58.05 -52.92 63.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 5.5 ptm180 -62.56 -38.69 91.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.449 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 4.7 m120 -57.65 -27.48 62.87 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -79.7 162.32 25.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' ASN . 2.4 t -85.25 -57.4 3.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 58' ' ' SER . 48.7 m-80 -34.68 -45.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -91.59 -40.08 11.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.03 178.23 13.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -0.64 7.26 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.253 . . . . 0.0 112.316 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -70.41 -32.98 70.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 64' ' ' VAL . 10.9 p -57.9 127.7 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 66' ' ' ARG . 14.2 t -118.87 167.33 11.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 65' ' ' THR . 20.5 mtm-85 -36.28 -53.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -46.83 -56.26 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -59.59 -40.24 86.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.8 m -57.74 -50.3 73.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.3 mt -58.96 -36.31 61.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -55.92 -44.57 78.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 42.7 tp -72.32 -33.35 67.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.5 tp -55.18 -41.11 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.688 ' HG2' HG22 ' A' ' 94' ' ' VAL . 27.6 mtt180 -55.53 -50.4 70.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -48.32 -57.49 5.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -41.42 -61.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.4 tp -46.24 -40.15 11.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.407 ' HD2' ' C ' ' A' ' 78' ' ' LYS . 0.5 OUTLIER -71.03 -34.17 71.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.405 ' CG ' ' CZ2' ' A' ' 14' ' ' TRP . 34.6 m-80 -83.55 15.14 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.407 ' CG ' ' O ' ' A' ' 80' ' ' HIS . 23.6 t-160 56.26 35.04 25.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.2 t -88.31 -29.13 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 18.2 pt -141.67 128.59 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.418 ' CG ' ' HG3' ' A' ' 102' ' ' ARG . 11.5 pt-20 -112.88 150.97 31.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -73.33 177.75 4.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.452 HD12 HD13 ' A' ' 100' ' ' LEU . 4.7 tt -50.09 -41.64 18.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.412 ' N ' HG23 ' A' ' 85' ' ' ILE . 10.2 mmmt -69.16 -44.86 71.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 107.6 30.51 4.03 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -102.52 118.91 37.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 29.1 p-90 -113.85 168.09 10.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 110.47 31.61 2.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.449 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.5 p -145.61 167.61 22.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.81 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 8.4 mm-40 -118.02 -15.42 9.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -58.26 102.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.688 HG22 ' HG2' ' A' ' 74' ' ' ARG . 28.6 m -139.81 123.42 18.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -124.36 162.59 23.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -77.62 8.32 4.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -56.47 178.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.45 7.09 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -52.18 115.78 1.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.776 HD22 ' HB2' ' A' ' 40' ' ' CYS . 17.2 mt -62.05 144.37 55.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.788 ' CE2' ' HB2' ' A' ' 43' ' ' ALA . 11.5 m-85 -137.94 161.28 37.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.418 ' HG3' ' CG ' ' A' ' 83' ' ' GLU . 10.5 ptm180 -159.13 170.3 22.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.55 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 2.9 t80 -100.6 135.26 20.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.642 0.734 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.55 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.9 Cg_endo -69.73 148.1 64.49 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.692 2.262 . . . . 0.0 112.365 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.085 179.904 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.492 HG23 ' N ' ' A' ' 12' ' ' LYS . 6.3 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.909 0.385 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.492 ' N ' HG23 ' A' ' 11' ' ' THR . 31.5 mmtt -41.69 -31.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.546 HD11 ' CE1' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -50.8 -55.94 14.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.894 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.41 ' CZ3' ' CE1' ' A' ' 76' ' ' PHE . 61.3 t-105 -53.9 -52.08 61.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -55.24 -42.24 73.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.0 -58.6 7.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.6 t -53.99 -62.18 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.7 p -45.34 -33.41 2.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.2 m -69.95 -46.43 65.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.073 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.512 ' OG ' HD21 ' A' ' 53' ' ' LEU . 52.0 p -67.72 -35.41 78.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.429 ' HD2' HD13 ' A' ' 50' ' ' LEU . 14.3 t80 -66.44 -53.93 29.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -41.94 -44.05 3.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.26 -61.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.41 ' HA2' ' CZ2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 90.6 m . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.855 0.36 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -133.97 126.42 30.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 76.3 p -59.8 158.43 10.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.561 ' O ' HG23 ' A' ' 47' ' ' VAL . . . -61.9 -39.24 91.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.47 -62.84 5.77 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -44.71 -49.53 10.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.57 -42.26 64.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 43' ' ' ALA . 94.8 t -48.62 -43.77 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -69.88 -57.81 4.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.603 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 1.8 t-105 -47.75 -47.36 30.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.429 HD13 ' HD2' ' A' ' 21' ' ' PHE . 26.7 tp -70.65 -54.67 11.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.564 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 7.3 t80 -46.12 -63.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.425 ' N ' ' CD2' ' A' ' 51' ' ' TYR . 1.7 t70 -46.77 -44.63 19.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.512 HD21 ' OG ' ' A' ' 20' ' ' SER . 4.2 tp -60.35 -49.27 78.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.499 HD22 ' CZ ' ' A' ' 60' ' ' PHE . 57.1 mt -59.5 -64.64 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.564 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 4.8 ptt180 -45.86 -32.95 2.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -57.13 -45.46 83.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -69.52 169.3 12.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.7 m -82.55 -42.6 18.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -40.14 -50.06 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.546 ' CE1' HD11 ' A' ' 13' ' ' LEU . 11.6 m-85 -90.81 -54.27 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.56 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 80.68 171.81 44.63 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 3.03 3.04 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.657 2.238 . . . . 0.0 112.34 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -80.06 -40.33 27.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 61' ' ' GLY . 14.7 p -53.23 137.12 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 66' ' ' ARG . 14.2 t -119.57 163.32 17.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 65' ' ' THR . 59.7 mtt180 -36.69 -53.87 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -37.56 -59.8 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -57.94 -43.03 86.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.1 m -53.38 -52.82 58.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 86.9 mt -57.96 -45.72 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.06 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -56.06 -42.1 76.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.3 tp -64.89 -48.07 75.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 76' ' ' PHE . 6.0 tp -43.4 -49.41 7.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -39.07 -42.09 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -66.27 -42.08 88.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 73' ' ' LEU . 3.2 m-85 -53.56 -54.84 31.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.62 HD22 ' CG1' ' A' ' 94' ' ' VAL . 36.6 tp -56.51 -33.2 65.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -75.09 -39.11 60.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -75.58 5.81 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 67.13 32.25 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 83.8 t -81.27 -34.03 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 31.1 pt -140.74 132.32 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.437 ' CD ' ' HA2' ' A' ' 87' ' ' GLY . 13.5 tt0 -109.92 143.7 39.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -63.73 158.8 20.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.469 HG23 ' HD3' ' A' ' 86' ' ' LYS . 2.4 tt -49.28 -43.06 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.469 ' HD3' HG23 ' A' ' 85' ' ' ILE . 11.0 mptt -70.36 -49.45 49.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.437 ' HA2' ' CD ' ' A' ' 83' ' ' GLU . . . 133.24 45.98 0.11 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -107.9 120.43 42.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 110.862 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 5.9 p-90 -141.59 154.34 45.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 108.03 -17.71 34.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.3 m -89.83 166.0 13.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.789 0.328 . . . . 0.0 110.851 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -117.77 17.13 14.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -94.38 102.2 14.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.62 ' CG1' HD22 ' A' ' 77' ' ' LEU . 27.5 m -147.81 135.52 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -152.18 148.71 27.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.442 ' OD1' ' C ' ' A' ' 96' ' ' ASP . 16.5 t0 -52.12 101.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -152.08 177.31 10.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.97 -7.65 37.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -53.64 102.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.04 167.1 5.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -143.03 177.88 8.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -161.37 160.86 30.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.522 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 32.4 t80 -101.36 139.28 20.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.628 0.728 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 54.2 Cg_endo -69.76 -177.78 2.03 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.667 2.245 . . . . 0.0 112.333 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.82 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.6 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.865 0.364 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -46.68 -46.06 19.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.8 tp -52.93 -57.16 11.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -51.15 -56.03 14.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -55.02 -42.35 72.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -57.87 -49.11 77.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.2 t -60.71 -60.68 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.735 HG22 ' CE2' ' A' ' 76' ' ' PHE . 77.0 p -44.64 -44.66 9.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.9 m -54.83 -58.66 6.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 m -58.51 -42.4 87.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.417 ' O ' ' C ' ' A' ' 22' ' ' ARG . 5.0 t80 -54.42 -53.95 47.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.454 ' HD2' ' CE2' ' A' ' 103' ' ' PHE . 14.8 ttt180 -37.27 -58.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.94 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -72.74 -63.93 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.045 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.624 ' CA ' ' CZ2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.431 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.549 ' SG ' HD13 ' A' ' 100' ' ' LEU . 19.2 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.822 0.344 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -154.21 141.01 19.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.3 p -56.11 151.36 12.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.161 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.505 ' HB2' ' CE2' ' A' ' 101' ' ' PHE . . . -66.71 -44.28 82.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.12 -51.53 11.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -55.19 -44.18 75.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.82 0.343 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.28 -40.31 61.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.432 ' O ' HG21 ' A' ' 69' ' ' THR . 65.8 t -50.07 -50.8 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -69.55 -48.56 59.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.624 ' CZ2' ' CA ' ' A' ' 24' ' ' GLY . 1.2 t-105 -50.59 -57.15 8.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.4 tp -66.36 -45.79 78.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -48.06 -54.13 14.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -57.73 -38.31 75.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 tp -66.01 -42.97 89.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.3 mt -64.38 -65.54 0.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.476 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 26.3 ptt85 -44.54 -46.15 9.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.476 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 19.4 t-20 -45.12 -45.26 11.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.586 ' ND2' HD22 ' A' ' 59' ' ' ASN . 33.0 t-20 -70.23 155.4 40.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.5 p -72.4 -43.69 63.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.586 HD22 ' ND2' ' A' ' 57' ' ' ASN . 70.4 m-80 -37.41 -60.45 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -83.75 -50.71 7.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.623 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 75.71 175.0 37.28 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -0.27 6.67 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.347 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -74.11 -31.47 62.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.623 HG12 ' O ' ' A' ' 61' ' ' GLY . 9.6 p -63.96 141.8 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.182 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.0 t -117.46 163.38 16.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 69' ' ' THR . 24.0 mtm180 -43.47 -56.82 3.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 66' ' ' ARG . 3.7 mp0 -34.28 -53.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -60.49 -41.99 95.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 66' ' ' ARG . 23.3 m -54.46 -53.71 50.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.3 mt -54.42 -44.85 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -57.04 -46.91 82.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.7 tp -64.84 -45.45 86.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.0 tp -42.99 -40.7 3.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -51.03 -52.77 39.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 78' ' ' LYS . 0.3 OUTLIER -45.0 -59.42 2.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.735 ' CE2' HG22 ' A' ' 18' ' ' THR . 84.1 m-85 -37.59 -43.57 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.713 HD22 ' CG1' ' A' ' 94' ' ' VAL . 41.6 tp -70.25 -40.38 74.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' LYS . 5.9 pttp -60.17 -34.75 74.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -86.2 4.3 39.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.712 ' CE1' ' CD2' ' A' ' 89' ' ' TRP . 4.2 t-160 66.81 32.9 6.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.4 t -79.24 -33.88 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.109 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 30.4 pt -132.23 131.34 60.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 84' ' ' ASP . 14.8 tt0 -108.03 151.24 26.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.427 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 0.7 OUTLIER -68.87 165.55 19.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.2 tt -68.22 -21.54 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.444 ' HA ' ' CE ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -90.03 -46.46 8.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.844 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 136.4 47.64 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -116.94 118.19 31.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.339 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.712 ' CD2' ' CE1' ' A' ' 80' ' ' HIS . 26.5 p-90 -139.61 150.58 45.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 96.28 44.4 3.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.549 ' O ' HD23 ' A' ' 77' ' ' LEU . 23.2 m -146.49 162.69 37.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.902 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -116.26 17.75 15.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -105.28 102.1 11.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.713 ' CG1' HD22 ' A' ' 77' ' ' LEU . 26.9 m -147.77 120.66 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.073 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -105.99 176.9 5.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.11 16.3 3.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -53.57 178.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.19 15.61 2.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -66.41 124.91 24.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.549 HD13 ' SG ' ' A' ' 40' ' ' CYS . 83.6 mt -77.59 141.68 39.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CE2' ' HB2' ' A' ' 43' ' ' ALA . 44.5 m-85 -127.89 157.07 41.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -135.64 177.1 8.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.535 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 5.9 t80 -117.63 140.35 27.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.722 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.535 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.8 Cg_endo -69.79 160.57 49.22 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.647 2.231 . . . . 0.0 112.36 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.877 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 12' ' ' LYS . 90.0 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.895 0.379 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' THR . 2.6 tppp? -37.12 -56.47 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 tt -46.92 -63.38 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.2 t-105 -46.68 -53.39 11.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -47.5 -50.97 22.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -49.46 -52.91 26.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.3 t -53.62 -58.4 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.156 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.7 p -53.9 -41.43 67.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.6 m -62.91 -62.92 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.1 m -53.72 -49.58 67.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -52.67 -47.54 67.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -41.38 -61.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -65.51 -63.85 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.539 ' HA3' ' CE2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.528 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.478 ' SG ' HD22 ' A' ' 100' ' ' LEU . 23.4 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.417 ' CE1' ' HA ' ' A' ' 102' ' ' ARG . 23.8 p90 -143.41 138.38 29.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.5 p -67.88 155.45 39.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.05 -46.92 63.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.121 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.88 -54.12 3.64 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -55.83 -41.86 74.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.65 -43.35 84.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.4 t -47.04 -46.15 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -67.07 -47.71 70.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.569 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 0.9 OUTLIER -56.37 -60.0 4.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.605 HD23 HG23 ' A' ' 69' ' ' THR . 27.3 tp -59.63 -45.06 93.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.424 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 37.4 t80 -55.62 -49.33 73.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -24.0 63.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.505 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 8.1 tp -82.09 -32.43 30.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.404 HD11 HD23 ' A' ' 72' ' ' LEU . 77.4 mt -80.41 -52.57 7.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.434 ' CG ' ' N ' ' A' ' 56' ' ' ASN . 32.8 ptt85 -50.89 -49.5 59.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.505 ' ND2' ' HA ' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -60.06 -40.64 90.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.496 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 13.3 t30 -56.78 157.94 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 t -85.68 -45.61 11.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -43.77 -60.61 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -79.44 -47.03 16.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.39 174.23 45.67 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -16.43 37.75 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -56.77 -24.35 49.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.0 p -60.99 137.74 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 59.7 p -114.2 169.62 8.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.599 ' O ' HD12 ' A' ' 70' ' ' ILE . 5.8 tpp85 -48.36 -57.16 6.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.597 ' HA ' HD13 ' A' ' 70' ' ' ILE . 3.4 tt0 -42.14 -55.74 3.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -43.84 -44.55 6.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.605 HG23 HD23 ' A' ' 50' ' ' LEU . 87.1 m -54.86 -64.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.076 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.778 ' H ' HD12 ' A' ' 70' ' ' ILE . 5.4 mp -40.84 -43.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -57.28 -57.48 12.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.404 HD23 HD11 ' A' ' 54' ' ' LEU . 13.3 tp -58.76 -45.54 89.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.447 HD23 ' CG2' ' A' ' 94' ' ' VAL . 10.3 tp -44.46 -40.54 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -51.45 -53.82 33.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -43.24 -56.6 3.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -39.32 -65.6 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.48 HD21 ' HB2' ' A' ' 91' ' ' SER . 58.4 tp -55.65 -39.9 71.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -34.4 74.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -92.64 17.69 9.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.54 ' HB2' ' CE3' ' A' ' 89' ' ' TRP . 20.9 t-160 57.42 32.81 22.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 83.9 t -80.29 -34.81 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.121 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 16.4 pt -137.87 127.37 34.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.436 ' CD ' ' HA2' ' A' ' 87' ' ' GLY . 22.6 pt-20 -103.83 156.09 18.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.03 169.86 16.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.423 HD12 ' SG ' ' A' ' 40' ' ' CYS . 5.3 tt -43.14 -37.16 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -70.4 -49.63 46.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.436 ' HA2' ' CD ' ' A' ' 83' ' ' GLU . . . 120.72 32.42 1.11 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -107.04 144.34 33.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.54 ' CE3' ' HB2' ' A' ' 80' ' ' HIS . 66.0 p-90 -135.39 164.0 28.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 108.18 50.0 0.79 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.48 ' HB2' HD21 ' A' ' 77' ' ' LEU . 40.1 m -152.25 148.12 27.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.817 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -113.62 16.68 18.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -103.55 102.67 12.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 94' ' ' VAL . 34.8 m -153.95 116.79 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -109.95 177.65 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -82.56 14.88 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -77.31 178.04 7.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.42 106.56 3.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -152.98 112.72 3.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.478 HD22 ' SG ' ' A' ' 40' ' ' CYS . 99.4 mt -62.76 147.22 50.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -147.53 171.41 15.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.417 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 6.8 ptt180 -161.28 167.56 25.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.54 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 7.6 t80 -101.42 139.66 20.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.679 0.752 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.54 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.9 Cg_endo -69.76 -172.39 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.693 2.262 . . . . 0.0 112.323 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.878 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.2 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.876 0.369 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -50.06 -49.67 50.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.693 HD12 ' HE1' ' A' ' 60' ' ' PHE . 4.1 mm? -69.26 -58.87 3.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.778 ' O ' HG23 ' A' ' 18' ' ' THR . 43.4 t-105 -41.34 -46.99 3.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -63.34 -36.88 85.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 13' ' ' LEU . 44.0 mt-10 -71.94 -58.3 3.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 13' ' ' LEU . 2.7 p -54.96 -39.7 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.159 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.778 HG23 ' O ' ' A' ' 14' ' ' TRP . 41.2 p -63.23 -46.06 88.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.3 m -59.92 -50.57 73.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.58 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.8 m -61.43 -59.9 4.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.456 ' CD2' HD13 ' A' ' 50' ' ' LEU . 19.9 t80 -49.91 -48.58 51.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.415 ' C ' ' HD2' ' A' ' 22' ' ' ARG . 2.9 tmm_? -44.99 -54.95 5.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.479 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -72.06 -64.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.642 ' SG ' HD12 ' A' ' 85' ' ' ILE . 1.8 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.825 0.345 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 101' ' ' PHE . 4.9 p90 -153.63 158.82 41.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.4 p -80.57 151.19 29.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.125 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.457 ' O ' ' HB3' ' A' ' 46' ' ' ALA . . . -63.32 -53.9 45.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 43' ' ' ALA . . . -35.72 -65.83 0.44 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.12 -47.1 4.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.361 . . . . 0.0 110.927 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 43' ' ' ALA . . . -50.63 -48.16 58.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.067 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.0 t -40.99 -49.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.12 -50.39 68.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -52.67 -53.96 40.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.596 HD23 HG23 ' A' ' 69' ' ' THR . 14.3 tp -65.77 -59.09 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.442 ' CZ ' ' HD2' ' A' ' 55' ' ' ARG . 16.5 t80 -39.7 -61.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -48.55 -48.25 38.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.58 HD21 ' HB2' ' A' ' 20' ' ' SER . 11.0 tp -59.36 -43.98 92.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.472 HD21 HG21 ' A' ' 17' ' ' VAL . 41.1 mt -61.51 -60.36 3.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.454 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 13.3 ptm180 -52.03 -44.14 64.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.454 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 9.1 t-20 -45.39 -42.08 9.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -74.72 148.96 40.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 59' ' ' ASN . 44.4 m -66.32 -50.17 64.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 58' ' ' SER . 10.1 t-20 -33.84 -60.83 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.693 ' HE1' HD12 ' A' ' 13' ' ' LEU . 12.5 m-85 -79.18 -49.08 13.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.518 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 73.95 175.93 33.22 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.506 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -16.09 37.37 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -55.7 -38.65 69.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 61' ' ' GLY . 10.6 p -56.87 132.63 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.3 t -109.38 162.36 14.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.463 ' O ' HD12 ' A' ' 70' ' ' ILE . 11.7 ttt-85 -41.43 -52.42 3.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.435 ' HA ' HD13 ' A' ' 70' ' ' ILE . 8.1 tt0 -40.29 -62.69 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -41.0 -40.73 1.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.596 HG23 HD23 ' A' ' 50' ' ' LEU . 21.5 m -55.34 -65.15 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.721 ' H ' HD12 ' A' ' 70' ' ' ILE . 5.2 mp -39.01 -42.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -66.77 -45.82 77.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.7 tp -63.87 -54.15 39.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.4 tp -39.68 -45.14 1.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -43.01 -51.86 5.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -46.42 -56.29 6.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.677 ' HD2' HG11 ' A' ' 81' ' ' VAL . 63.7 m-85 -40.28 -60.75 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.416 HD11 ' HA ' ' A' ' 89' ' ' TRP . 12.5 tp -55.8 -36.05 66.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -63.36 -47.22 83.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -76.19 7.76 3.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 67.87 32.04 5.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.677 HG11 ' HD2' ' A' ' 76' ' ' PHE . 93.9 t -77.59 -29.32 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 23.7 pt -148.45 128.67 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -101.05 170.69 8.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -78.31 154.28 31.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.805 ' CD1' HD13 ' A' ' 100' ' ' LEU . 12.6 tt -38.72 -34.76 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -87.68 -42.56 12.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 130.26 50.77 0.11 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.44 ' NH1' ' HB3' ' A' ' 88' ' ' ARG . 16.3 mtp-105 -110.94 138.18 47.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.759 0.314 . . . . 0.0 110.891 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.416 ' HA ' HD11 ' A' ' 77' ' ' LEU . 11.3 p-90 -144.03 170.48 15.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 73.04 41.48 47.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.515 ' O ' ' CG ' ' A' ' 92' ' ' GLU . 52.9 m -117.96 -27.55 6.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.84 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 91' ' ' SER . 8.4 pt-20 48.82 32.05 3.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -130.17 102.59 6.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.1 m -145.73 124.49 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.02 175.79 5.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -81.99 12.47 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -82.42 178.11 8.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.36 102.76 1.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -149.16 107.56 3.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.805 HD13 ' CD1' ' A' ' 85' ' ' ILE . 77.2 mt -60.64 153.68 23.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 41' ' ' PHE . 29.2 m-85 -158.03 157.46 32.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.402 ' HD3' ' O ' ' A' ' 85' ' ' ILE . 6.7 ptt180 -148.98 149.16 30.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.562 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 2.6 t80 -84.02 134.21 44.24 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.652 0.739 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.562 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.8 Cg_endo -69.78 178.86 4.16 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.706 2.271 . . . . 0.0 112.325 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.897 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.1 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.865 0.364 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -50.15 -61.81 1.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.1 mt -43.7 -63.97 0.74 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.519 ' O ' HG23 ' A' ' 18' ' ' THR . 62.3 t-105 -45.95 -44.63 14.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -64.76 -30.2 71.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -75.75 -61.91 1.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 18' ' ' THR . 6.2 p -52.19 -42.21 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 14' ' ' TRP . 37.5 p -63.44 -46.29 86.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.5 m -63.45 -46.09 87.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.411 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 6.0 m -62.66 -45.28 93.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' ARG . 8.0 t80 -61.44 -59.8 4.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -35.05 -60.61 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -68.82 -33.91 74.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.086 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.576 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 83.3 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.893 0.378 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -153.15 158.0 41.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.1 p -76.3 145.8 39.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 44' ' ' GLY . . . -59.95 -57.9 10.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.084 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 43' ' ' ALA . . . -34.03 -64.83 0.35 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -44.83 -45.96 10.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.88 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 43' ' ' ALA . . . -54.57 -37.77 65.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.061 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.404 HG21 ' CB ' ' A' ' 96' ' ' ASP . 94.7 t -52.96 -48.89 51.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -65.7 -49.43 68.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.576 ' CZ2' ' HA3' ' A' ' 24' ' ' GLY . 1.1 t-105 -56.76 -62.82 1.47 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.412 HD23 HG23 ' A' ' 69' ' ' THR . 28.1 tp -51.24 -42.07 60.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -62.12 -48.55 79.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.55 -38.58 69.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.412 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 6.2 tp -68.6 -43.88 75.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.8 mt -60.77 -54.65 42.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -57.8 -41.42 82.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -57.05 -41.33 78.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -56.95 174.16 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 m -97.73 -48.34 5.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -46.66 -56.91 5.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -75.94 -39.91 55.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.502 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 67.63 175.06 8.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -7.15 20.31 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.651 2.234 . . . . 0.0 112.344 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -64.84 -36.53 84.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.502 HG12 ' O ' ' A' ' 61' ' ' GLY . 14.7 p -55.97 146.0 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 66' ' ' ARG . 15.2 t -130.85 166.2 21.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 66' ' ' ARG . 13.9 ttp-105 -37.06 -47.96 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -39.0 -59.57 0.96 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -58.25 -40.45 81.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.412 HG23 HD23 ' A' ' 50' ' ' LEU . 49.1 m -56.76 -57.51 12.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 89.6 mt -55.39 -46.52 78.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.123 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -56.25 -42.72 77.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.448 ' HG ' ' CE2' ' A' ' 76' ' ' PHE . 49.9 tp -66.31 -46.5 76.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.1 tp -44.82 -41.76 7.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.471 ' HG3' ' CG2' ' A' ' 94' ' ' VAL . 47.7 mtt180 -59.3 -43.0 92.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -60.3 -58.38 8.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.452 ' CD1' ' CH2' ' A' ' 14' ' ' TRP . 14.4 m-85 -38.46 -59.77 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 82' ' ' ILE . 33.5 tp -49.06 -42.39 38.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.419 ' HD2' ' C ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -63.17 -41.0 99.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.819 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.606 ' HB2' HG23 ' A' ' 81' ' ' VAL . 3.9 m120 -76.75 7.58 4.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.636 ' CE1' ' CZ3' ' A' ' 89' ' ' TRP . 3.2 t-160 66.27 32.29 7.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.606 HG23 ' HB2' ' A' ' 79' ' ' ASN . 96.3 t -82.67 -31.16 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.586 ' O ' HD12 ' A' ' 77' ' ' LEU . 10.9 pt -138.25 124.2 25.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -101.7 138.74 38.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.21 168.39 10.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.6 tp -59.26 -32.53 48.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -94.77 -39.71 10.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 121.85 52.1 0.23 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -94.03 17.42 12.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.751 0.31 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.636 ' CZ3' ' CE1' ' A' ' 80' ' ' HIS . 36.5 p-90 -57.76 148.02 26.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 113.04 -18.23 21.68 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.3 m -106.26 177.14 4.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 0.0 110.856 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -116.88 15.97 15.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -83.66 102.02 11.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.471 ' CG2' ' HG3' ' A' ' 74' ' ' ARG . 24.2 m -151.85 137.03 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.156 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -129.35 165.42 21.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.404 ' CB ' HG21 ' A' ' 47' ' ' VAL . 2.5 p30 -81.61 15.8 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.475 ' ND2' ' HG3' ' A' ' 99' ' ' GLN . 1.6 p30 -82.74 178.07 8.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.6 104.62 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.475 ' HG3' ' ND2' ' A' ' 97' ' ' ASN . 29.2 mt-30 -150.0 114.95 5.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 66.0 mt -69.24 136.13 51.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -130.04 174.21 9.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -154.58 174.87 14.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.48 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 2.7 t80 -103.35 136.7 19.18 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.659 0.742 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.48 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.9 Cg_endo -69.74 171.9 13.59 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.83 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.7 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.833 0.349 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -57.56 -47.49 81.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 17' ' ' VAL . 3.6 tt -58.01 -60.83 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.412 ' CH2' ' CD1' ' A' ' 76' ' ' PHE . 49.9 t-105 -54.84 -57.65 10.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -50.88 -34.42 28.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.4 ' O ' HG22 ' A' ' 19' ' ' THR . 21.0 mt-10 -67.19 -47.39 71.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 13' ' ' LEU . 39.8 t -64.36 -34.69 70.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.404 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 41.5 p -76.75 -47.31 22.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 16' ' ' GLU . 0.7 OUTLIER -59.85 -35.98 75.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.157 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -79.36 -59.44 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' ' 21' ' ' PHE . 8.4 t80 -54.26 -44.88 72.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.409 ' C ' ' HD2' ' A' ' 22' ' ' ARG . 1.9 tmm_? -52.85 -48.87 66.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.12 -64.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.59 ' HA2' ' CZ2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.46 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 97.7 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.827 0.346 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -138.43 125.99 22.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.7 p -62.67 164.08 8.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.82 ' O ' HG23 ' A' ' 47' ' ' VAL . . . -65.01 -47.11 78.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.084 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.91 -61.48 7.3 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.471 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -51.41 -49.78 60.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.876 0.37 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.27 -48.39 62.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 43' ' ' ALA . 97.3 t -39.91 -44.95 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -71.35 -46.13 61.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.59 ' CZ2' ' HA2' ' A' ' 24' ' ' GLY . 2.1 t-105 -54.69 -46.05 74.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.482 HD21 HD23 ' A' ' 72' ' ' LEU . 60.8 tp -72.13 -53.15 13.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.493 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 28.6 t80 -47.09 -58.26 4.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.445 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 1.8 t0 -48.07 -42.76 29.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.895 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 tp -66.53 -45.44 79.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 65.6 mt -60.27 -56.97 15.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.493 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 25.5 ptt180 -54.24 -38.38 65.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.465 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 2.8 t-20 -55.97 -38.98 71.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -69.35 170.6 10.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.3 t -86.78 -49.4 7.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.806 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -40.68 -54.22 2.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -84.32 -40.84 17.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.649 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 61.99 173.92 1.72 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.533 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 3.02 3.0 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.704 2.269 . . . . 0.0 112.352 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -78.76 -35.67 44.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.649 HG12 ' O ' ' A' ' 61' ' ' GLY . 7.3 p -55.75 138.73 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.2 p -107.12 171.56 7.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -52.99 -44.28 67.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -46.73 -55.36 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -51.91 -43.4 63.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 70.6 m -53.64 -52.87 58.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 74.8 mt -54.58 -44.5 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -52.08 -48.87 64.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.482 HD23 HD21 ' A' ' 50' ' ' LEU . 31.6 tp -60.18 -48.6 81.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.2 tp -42.79 -43.58 4.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.647 ' HG2' HG22 ' A' ' 94' ' ' VAL . 51.3 mtt180 -54.73 -54.69 38.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -49.41 -60.06 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.437 ' CE2' ' HG ' ' A' ' 72' ' ' LEU . 22.0 m-85 -41.11 -61.86 0.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.715 HD12 ' O ' ' A' ' 82' ' ' ILE . 14.8 tp -51.47 -39.77 58.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -66.1 -38.99 89.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -80.91 13.07 2.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 80' ' ' HIS . 21.1 t-160 63.0 32.1 15.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.411 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 78.2 t -83.96 -30.34 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.715 ' O ' HD12 ' A' ' 77' ' ' LEU . 22.1 pt -137.92 127.13 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -103.87 138.75 40.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -75.73 154.37 36.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 6.2 tt -54.98 -23.66 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -95.1 -42.01 8.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 117.81 52.26 0.32 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -105.0 17.69 23.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.33 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.423 ' HA ' HD11 ' A' ' 77' ' ' LEU . 19.6 p-90 -58.26 149.79 23.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 115.32 -38.81 2.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.483 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.7 m -82.05 171.74 14.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.841 0.353 . . . . 0.0 110.844 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -116.59 17.14 15.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -96.3 106.02 18.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.647 HG22 ' HG2' ' A' ' 74' ' ' ARG . 34.5 m -141.05 123.18 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -107.57 177.18 4.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.93 13.98 2.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.469 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 42.1 m-20 -57.47 172.77 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -86.96 17.3 4.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.445 ' O ' ' CD1' ' A' ' 101' ' ' PHE . 55.5 mt-30 -58.41 108.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.6 mt -56.3 146.75 22.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.585 ' HE1' ' HB2' ' A' ' 43' ' ' ALA . 46.8 m-85 -131.14 164.25 25.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -157.8 132.78 8.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.555 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 3.0 t80 -73.94 135.67 77.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.6 0.714 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.555 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.7 Cg_endo -69.78 171.97 13.5 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.896 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.7 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.871 0.367 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.4 tptt -55.9 -60.75 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.3 tp -47.23 -49.37 23.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.46 ' CH2' ' CD1' ' A' ' 76' ' ' PHE . 30.9 t-105 -57.91 -46.19 85.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -59.06 -48.03 83.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -55.82 -49.86 72.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 78.2 t -61.5 -67.76 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.9 p -38.16 -45.85 0.99 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.3 m -61.0 -53.55 55.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.7 m -56.97 -58.85 6.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.412 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 8.3 t80 -46.8 -52.4 14.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.571 ' HD2' ' CE2' ' A' ' 103' ' ' PHE . 9.2 ttt-85 -43.43 -64.16 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -71.99 -63.82 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.587 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.406 ' SG ' HD13 ' A' ' 100' ' ' LEU . 6.4 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.848 0.356 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 101' ' ' PHE . 9.5 p90 -108.79 155.36 20.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.4 p -85.45 166.99 15.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.122 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.443 ' HB2' ' HE2' ' A' ' 101' ' ' PHE . . . -65.65 -59.4 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.35 -58.58 1.65 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.22 -54.45 20.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.36 . . . . 0.0 110.913 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -47.87 -46.77 31.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.07 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.1 t -45.01 -41.49 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -68.86 -60.5 2.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.589 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 0.8 OUTLIER -41.11 -59.22 1.55 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.571 HD21 HD23 ' A' ' 72' ' ' LEU . 60.9 tp -62.81 -50.78 69.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.517 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 38.9 t80 -43.66 -46.71 7.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -63.56 -46.65 84.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.514 HD13 ' CH2' ' A' ' 49' ' ' TRP . 8.1 tp -55.97 -35.83 67.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 46.4 mt -71.94 -63.69 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.517 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 41.9 ptt85 -51.89 -43.3 63.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.65 -43.26 17.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -73.21 172.3 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.2 t -86.46 -46.8 9.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -37.47 -54.83 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -85.14 -55.83 3.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.707 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 78.57 172.79 41.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 2.92 3.08 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -80.12 -27.34 39.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 61' ' ' GLY . 6.4 p -61.72 137.51 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.105 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.4 p -111.16 166.23 11.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.144 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -50.34 -48.18 55.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -43.33 -54.12 4.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -60.82 -37.24 81.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 98.5 m -59.98 -54.16 49.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 53.6 mt -55.85 -37.97 49.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -54.29 -46.06 72.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.571 HD23 HD21 ' A' ' 50' ' ' LEU . 58.3 tp -62.58 -50.17 72.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 tp -41.03 -41.36 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -52.82 -47.67 67.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 78' ' ' LYS . 20.2 mttp -57.1 -60.98 2.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.46 ' CD1' ' CH2' ' A' ' 14' ' ' TRP . 20.2 m-85 -38.79 -58.48 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.499 HD22 ' CG1' ' A' ' 94' ' ' VAL . 67.7 tp -51.52 -36.41 44.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 75' ' ' LYS . 16.6 mtmt -72.17 -37.88 69.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -79.07 7.94 6.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.679 ' CE1' ' CE2' ' A' ' 89' ' ' TRP . 4.8 t-160 64.25 32.19 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.81 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.499 ' O ' ' CE1' ' A' ' 103' ' ' PHE . 92.8 t -82.22 -34.38 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.5 pt -133.49 135.02 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -115.33 155.13 27.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 88' ' ' ARG . 2.9 p-10 -90.46 167.57 12.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.755 HG23 ' HD3' ' A' ' 86' ' ' LYS . 2.4 tt -52.93 -37.23 25.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.755 ' HD3' HG23 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -70.5 -50.11 41.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 121.29 29.96 1.38 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.405 ' O ' ' OD1' ' A' ' 84' ' ' ASP . 55.2 mtm180 -95.07 102.09 13.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.341 . . . . 0.0 110.871 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.679 ' CE2' ' CE1' ' A' ' 80' ' ' HIS . 8.9 p-90 -120.79 118.59 30.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 137.14 35.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.14 166.75 23.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 110.839 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.01 14.6 14.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -96.91 102.35 14.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.499 ' CG1' HD22 ' A' ' 77' ' ' LEU . 15.6 m -141.92 112.29 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -99.29 163.38 12.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 30.9 p30 -80.79 -0.51 39.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -65.33 175.07 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.489 ' CG ' ' O ' ' A' ' 98' ' ' ASN . 0.4 OUTLIER -66.09 107.74 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -151.15 108.95 3.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.406 HD13 ' SG ' ' A' ' 40' ' ' CYS . 66.9 mt -56.13 159.71 3.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.443 ' HE2' ' HB2' ' A' ' 43' ' ' ALA . 17.8 m-85 -152.35 172.59 16.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -165.22 163.12 20.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.571 ' CE2' ' HD2' ' A' ' 22' ' ' ARG . 4.6 t80 -107.68 140.58 21.7 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.539 ' HD2' ' CD2' ' A' ' 103' ' ' PHE . 53.3 Cg_endo -69.78 149.6 67.0 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.624 2.216 . . . . 0.0 112.361 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.879 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.457 HG22 ' ND2' ' A' ' 15' ' ' ASN . 73.4 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.834 0.35 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -43.92 -47.47 8.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.6 tp -56.21 -59.45 4.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.696 ' O ' HG23 ' A' ' 18' ' ' THR . 9.7 t-105 -52.91 -46.12 67.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.457 ' ND2' HG22 ' A' ' 11' ' ' THR . 31.1 m-20 -61.3 -39.2 89.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -65.58 -55.15 19.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 18' ' ' THR . 7.4 p -61.92 -42.42 94.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 14' ' ' TRP . 58.9 p -63.14 -46.52 86.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.3 m -59.53 -50.59 73.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 m -64.99 -58.27 6.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.525 ' CD1' HD13 ' A' ' 50' ' ' LEU . 37.8 t80 -44.27 -48.82 9.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.6 -64.92 0.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -68.78 -63.95 0.96 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.527 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.503 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.7 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.837 0.351 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.426 ' C ' HD23 ' A' ' 100' ' ' LEU . 9.9 p90 -134.8 136.69 42.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.459 ' N ' HD23 ' A' ' 100' ' ' LEU . 22.1 p -57.29 145.49 31.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.56 77.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.8 -49.47 3.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -59.57 -43.03 93.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.34 . . . . 0.0 110.823 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.85 98.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.5 t -47.82 -42.1 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -68.25 -56.35 8.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.646 ' CH2' HD13 ' A' ' 53' ' ' LEU . 1.3 t-105 -44.09 -54.34 5.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.525 HD13 ' CD1' ' A' ' 21' ' ' PHE . 36.7 tp -66.36 -60.94 2.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 50' ' ' LEU . 28.2 t80 -36.45 -47.68 0.63 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -58.15 -48.17 81.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.646 HD13 ' CH2' ' A' ' 49' ' ' TRP . 3.5 tp -62.94 -42.55 99.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 70.7 mt -61.24 -57.66 11.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 26.2 ptt180 -53.27 -40.01 64.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.441 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -58.25 -52.21 66.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -59.14 162.95 4.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 t -83.15 -42.18 17.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -39.0 -64.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -80.07 -46.3 16.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.61 170.1 24.09 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -1.87 9.23 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.682 2.254 . . . . 0.0 112.312 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -85.94 17.96 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.435 HG23 ' HB2' ' A' ' 68' ' ' GLN . 8.2 p -92.07 143.12 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 66' ' ' ARG . 13.9 t -117.33 150.01 39.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 65' ' ' THR . 32.1 mtm180 -34.88 -43.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -51.78 -56.27 14.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.435 ' HB2' HG23 ' A' ' 64' ' ' VAL . 18.2 mm100 -53.35 -45.3 69.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.8 m -56.69 -54.34 47.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 58.8 mt -53.98 -41.15 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -57.61 -45.31 85.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.492 HD23 HD21 ' A' ' 50' ' ' LEU . 46.9 tp -64.26 -49.65 71.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.6 tp -47.37 -42.8 22.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.75 ' HG2' HG22 ' A' ' 94' ' ' VAL . 67.5 mtt85 -49.87 -50.87 44.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -52.24 -58.02 7.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.544 ' CE1' HG22 ' A' ' 18' ' ' THR . 20.7 m-85 -43.39 -55.69 3.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.712 HD12 ' O ' ' A' ' 82' ' ' ILE . 4.5 tp -56.38 -35.68 67.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.463 ' HD3' ' CG ' ' A' ' 92' ' ' GLU . 34.3 ttpt -72.1 -36.8 69.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -81.91 17.26 1.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.45 ' CG ' ' O ' ' A' ' 80' ' ' HIS . 23.6 t-160 61.17 32.1 19.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.448 HG12 HG23 ' A' ' 82' ' ' ILE . 52.9 t -84.25 -33.18 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.712 ' O ' HD12 ' A' ' 77' ' ' LEU . 8.3 pt -140.88 117.44 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -90.25 149.52 22.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -86.07 162.1 18.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.43 ' HA ' ' HD3' ' A' ' 102' ' ' ARG . 3.3 tt -49.03 -30.88 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -103.92 -35.89 7.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 117.99 68.72 0.36 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.8 mtm105 -108.5 17.69 21.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.779 0.323 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 23.4 p-90 -57.97 104.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 120.18 34.43 0.96 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.499 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.6 m -116.61 -16.63 10.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 110.836 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.463 ' CG ' ' HD3' ' A' ' 78' ' ' LYS . 35.7 mp0 53.45 41.86 32.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -145.73 102.43 3.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.75 HG22 ' HG2' ' A' ' 74' ' ' ARG . 28.7 m -138.09 146.49 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.434 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 16.7 m-20 -143.24 177.99 8.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -78.59 10.58 3.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.434 ' ND2' ' HB2' ' A' ' 95' ' ' ASP . 1.9 p30 -56.81 178.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.62 16.55 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -61.94 117.4 5.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.459 HD23 ' N ' ' A' ' 42' ' ' THR . 12.0 mt -79.07 138.76 38.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.483 ' HE2' HD13 ' A' ' 77' ' ' LEU . 44.2 m-85 -124.3 168.25 13.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.43 ' HD3' ' HA ' ' A' ' 85' ' ' ILE . 4.1 ptt85 -152.45 169.96 21.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.518 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 9.3 t80 -111.53 139.96 22.62 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.664 0.745 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.4 Cg_endo -69.8 149.31 66.45 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.279 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.845 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.8 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.872 0.368 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -63.04 -50.97 68.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.507 ' O ' HG12 ' A' ' 17' ' ' VAL . 11.8 mt -48.63 -53.5 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.555 ' O ' HG23 ' A' ' 18' ' ' THR . 30.6 t-105 -57.82 -41.79 82.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -63.16 -37.0 85.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.442 ' O ' HG22 ' A' ' 19' ' ' THR . 17.1 tt0 -71.25 -61.76 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 13' ' ' LEU . 6.6 p -50.45 -34.49 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.815 HG22 ' CE1' ' A' ' 76' ' ' PHE . 39.6 p -75.52 -53.38 8.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.442 HG22 ' O ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -57.8 -37.71 74.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.567 ' HB2' HD21 ' A' ' 53' ' ' LEU . 26.8 m -72.01 -56.81 4.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.437 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 18.9 t80 -44.19 -58.82 2.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 103' ' ' PHE . 4.6 ttm180 -44.26 -43.57 7.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -66.6 -32.79 74.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.515 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.854 0.359 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -125.16 130.58 52.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 70.0 p -70.43 137.09 50.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.156 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.431 ' O ' HG23 ' A' ' 47' ' ' VAL . . . -39.74 -48.25 2.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.26 -61.38 4.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -48.14 -45.21 32.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.22 81.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 43' ' ' ALA . 86.2 t -40.57 -44.98 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -71.64 -61.03 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.495 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 1.6 t-105 -43.95 -57.63 3.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.414 HD11 ' CG2' ' A' ' 17' ' ' VAL . 60.8 tp -62.26 -44.45 96.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.402 ' CB ' ' O ' ' A' ' 47' ' ' VAL . 15.9 t80 -53.71 -66.9 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -42.16 -42.63 3.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.567 HD21 ' HB2' ' A' ' 20' ' ' SER . 13.6 tp -65.28 -37.68 87.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.67 -60.62 2.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 7.6 ptm180 -50.41 -36.64 33.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.455 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -50.38 -39.34 46.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -65.17 176.99 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.4 m -92.03 -40.89 10.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.404 ' CG ' HD11 ' A' ' 13' ' ' LEU . 10.4 m120 -57.77 -48.52 79.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -80.24 -42.68 22.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.562 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 52.44 -178.87 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -4.69 14.53 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.712 2.274 . . . . 0.0 112.282 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.05 -39.89 72.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 61' ' ' GLY . 13.7 p -52.63 147.51 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 66' ' ' ARG . 14.2 t -135.8 163.36 30.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 65' ' ' THR . 1.1 mpp_? -34.33 -51.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -40.31 -52.99 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -66.02 -45.44 81.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.1 m -52.78 -52.48 56.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.193 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 18.7 mt -57.81 -39.76 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -59.85 -41.33 91.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.0 tp -74.46 -39.99 62.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 tp -51.73 -34.02 37.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.553 ' HG2' HG22 ' A' ' 94' ' ' VAL . 25.5 mtt180 -61.35 -44.36 97.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -53.26 -48.9 67.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.815 ' CE1' HG22 ' A' ' 18' ' ' THR . 70.9 m-85 -48.87 -63.59 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.612 HD22 ' CG1' ' A' ' 94' ' ' VAL . 4.6 tp -49.63 -33.58 15.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -73.46 -38.78 65.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -77.69 6.55 7.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.465 ' CD2' ' CG ' ' A' ' 89' ' ' TRP . 15.8 t-160 67.36 32.83 5.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.58 ' O ' ' CE1' ' A' ' 103' ' ' PHE . 83.3 t -85.89 -29.65 6.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.404 ' O ' HD12 ' A' ' 77' ' ' LEU . 21.8 pt -141.8 126.65 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.486 ' CG ' ' HG3' ' A' ' 102' ' ' ARG . 13.6 pt-20 -103.53 167.92 9.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -90.6 162.99 14.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.5 tp -41.7 -32.84 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -89.83 -41.16 11.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 128.17 38.87 0.36 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.467 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -94.34 117.41 30.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.465 ' CG ' ' CD2' ' A' ' 80' ' ' HIS . 57.9 p-90 -145.29 158.76 43.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 110.19 -35.48 4.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.558 ' O ' HD23 ' A' ' 77' ' ' LEU . 90.1 p -79.57 169.43 18.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.352 . . . . 0.0 110.837 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -117.29 17.82 14.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -90.68 104.93 17.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.612 ' CG1' HD22 ' A' ' 77' ' ' LEU . 35.5 m -152.05 146.64 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -139.62 178.05 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -80.31 13.14 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -58.4 178.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.88 17.93 3.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -59.67 125.92 25.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 43.7 mt -71.93 151.26 43.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -144.0 170.09 16.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.486 ' HG3' ' CG ' ' A' ' 83' ' ' GLU . 4.6 ptm85 -162.32 177.13 9.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.586 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 2.7 t80 -99.22 140.81 21.95 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.693 0.759 . . . . 0.0 110.807 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.586 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 54.0 Cg_endo -69.73 174.29 9.7 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.657 2.238 . . . . 0.0 112.353 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.855 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.9 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.831 0.348 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -51.57 -58.1 7.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.55 HD21 ' CE2' ' A' ' 60' ' ' PHE . 20.0 tp -53.4 -60.49 3.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.605 ' O ' HG23 ' A' ' 18' ' ' THR . 48.2 t-105 -48.87 -44.5 39.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -62.61 -33.46 75.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -75.44 -60.81 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.485 HG12 ' O ' ' A' ' 13' ' ' LEU . 3.4 p -52.04 -41.63 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 14' ' ' TRP . 44.3 p -64.84 -52.52 56.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.3 m -58.2 -52.16 66.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.6 m -60.13 -50.17 74.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -54.65 -57.65 10.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.577 ' HG3' ' CZ ' ' A' ' 103' ' ' PHE . 1.1 ttm180 -37.97 -63.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -64.74 -33.13 75.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.578 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 98.8 m . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.796 0.331 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -156.81 143.05 18.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.501 ' N ' HD23 ' A' ' 100' ' ' LEU . 64.1 p -62.05 142.65 57.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.123 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' GLY . . . -66.87 -46.6 74.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' ALA . . . -35.49 -59.0 0.85 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.519 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -57.61 -41.25 80.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.74 -45.1 78.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.9 t -48.05 -49.45 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -65.4 -46.87 78.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.585 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 1.2 t-105 -54.07 -55.19 29.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.3 tp -63.21 -50.58 69.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -49.24 -62.43 1.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -46.2 -45.43 16.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.581 HD13 ' CH2' ' A' ' 49' ' ' TRP . 8.3 tp -61.2 -42.7 99.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.34 -63.42 1.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 4.7 ptm180 -50.0 -36.83 30.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.468 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 23.7 t-20 -51.99 -34.94 44.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.4 ' ND2' ' HB2' ' A' ' 59' ' ' ASN . 62.2 t30 -78.89 172.76 13.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.6 m -84.51 -49.73 8.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.812 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.4 ' HB2' ' ND2' ' A' ' 57' ' ' ASN . 11.8 m-20 -42.0 -59.86 1.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.55 ' CE2' HD21 ' A' ' 13' ' ' LEU . 84.0 m-85 -75.06 -37.96 61.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.818 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.41 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 55.49 177.35 0.22 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -12.25 32.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.389 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.75 -37.22 86.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 61' ' ' GLY . 9.7 p -55.03 131.68 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.16 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.7 t -115.4 163.84 15.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 67' ' ' GLN . 12.1 ttm180 -40.57 -53.47 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' ARG . 36.8 mt-30 -34.33 -62.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -54.66 -42.75 71.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 66' ' ' ARG . 41.1 m -55.34 -51.21 67.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.472 HD13 ' OD1' ' A' ' 95' ' ' ASP . 84.7 mt -56.73 -44.11 80.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -60.93 -44.95 96.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 47.2 tp -62.22 -55.37 29.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.7 tp -38.99 -37.76 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.571 ' HG2' HG22 ' A' ' 94' ' ' VAL . 48.9 mtt180 -55.3 -57.21 12.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -41.07 -57.92 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.58 ' CE1' HG22 ' A' ' 18' ' ' THR . 19.3 m-85 -44.33 -52.31 7.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.543 HD21 ' HB3' ' A' ' 91' ' ' SER . 13.9 tp -54.51 -40.29 68.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.937 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -74.61 -30.71 61.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -81.44 14.83 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 58.72 32.15 21.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.597 ' O ' ' CE1' ' A' ' 103' ' ' PHE . 61.7 t -88.32 -33.39 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.7 pt -139.63 119.58 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.417 ' CG ' ' HG2' ' A' ' 102' ' ' ARG . 10.5 pt-20 -95.22 151.92 18.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.15 159.35 24.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 102' ' ' ARG . 3.9 tt -42.78 -26.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.03 -44.7 9.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 127.11 46.29 0.2 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.465 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -105.12 120.15 40.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.758 0.314 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 32.2 p-90 -118.01 16.48 14.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -146.99 52.92 0.55 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.543 ' HB3' HD21 ' A' ' 77' ' ' LEU . 1.1 t -111.3 -28.85 8.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 91' ' ' SER . 7.4 pt-20 48.76 32.05 3.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -136.55 105.42 5.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.571 HG22 ' HG2' ' A' ' 74' ' ' ARG . 17.4 m -142.99 161.43 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.472 ' OD1' HD13 ' A' ' 70' ' ' ILE . 23.3 t70 -163.9 177.99 8.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -74.5 5.29 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.4 ' ND2' ' HB3' ' A' ' 95' ' ' ASP . 55.2 m-20 -54.55 178.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.84 16.07 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -69.71 120.62 15.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.501 HD23 ' N ' ' A' ' 42' ' ' THR . 34.2 mt -75.41 165.48 25.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.546 ' CZ ' HG12 ' A' ' 94' ' ' VAL . 56.0 m-85 -156.13 163.11 40.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.437 ' HD3' ' HA ' ' A' ' 85' ' ' ILE . 1.3 ptt180 -149.85 172.77 14.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 81' ' ' VAL . 4.4 t80 -108.9 140.67 22.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.644 0.735 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.6 Cg_endo -69.69 149.79 67.79 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.819 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.5 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.854 0.359 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -59.24 -56.27 24.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.907 HD21 ' CE1' ' A' ' 60' ' ' PHE . 58.9 tp -60.6 -58.27 9.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 42.7 t-105 -46.25 -44.08 16.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -67.21 -38.13 84.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.69 -55.16 18.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.691 HG23 HD23 ' A' ' 53' ' ' LEU . 4.4 p -57.68 -42.69 82.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.166 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.407 ' N ' HG13 ' A' ' 17' ' ' VAL . 8.0 p -64.3 -52.48 58.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.9 m -45.95 -52.64 11.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.583 ' HB3' HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -60.15 -42.92 95.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.831 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.523 ' CZ ' HG21 ' A' ' 82' ' ' ILE . 37.2 t80 -50.79 -50.09 56.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.403 ' C ' ' HD2' ' A' ' 22' ' ' ARG . 5.2 tmm_? -46.9 -60.2 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.04 -63.65 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.06 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.549 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.7 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.874 0.369 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -130.71 137.33 49.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.5 p -70.03 142.11 52.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.644 ' HB2' ' CE2' ' A' ' 101' ' ' PHE . . . -49.97 -43.76 50.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -45.71 -54.16 8.02 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -54.6 -45.89 73.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.346 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -50.51 -35.82 31.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.542 ' O ' HG21 ' A' ' 69' ' ' THR . 99.4 t -54.41 -52.92 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -65.25 -50.34 66.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.679 ' CH2' HD13 ' A' ' 53' ' ' LEU . 1.5 t-105 -52.49 -47.64 66.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.3 tp -71.74 -40.11 69.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 51' ' ' TYR . 2.1 t80 -51.75 -53.12 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.977 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.476 ' HA ' ' CG ' ' A' ' 55' ' ' ARG . 2.7 t70 -55.65 -41.86 74.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.691 HD23 HG23 ' A' ' 17' ' ' VAL . 6.2 tp -60.78 -49.01 79.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.467 HD11 HD23 ' A' ' 72' ' ' LEU . 21.7 mt -70.3 -62.64 1.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.505 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -42.61 -39.68 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -65.71 -40.04 91.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -64.21 160.22 18.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.7 t -86.23 -44.88 11.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -41.79 -53.0 3.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.907 ' CE1' HD21 ' A' ' 13' ' ' LEU . 92.5 m-85 -86.71 -42.69 13.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 55' ' ' ARG . . . 81.14 168.67 40.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -13.92 35.23 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.721 2.281 . . . . 0.0 112.31 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -60.51 -20.92 61.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.1 p -54.7 133.99 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.4 p -123.0 166.16 15.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.452 ' HB3' ' NH1' ' A' ' 66' ' ' ARG . 17.0 ttp-105 -38.7 -53.96 1.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -48.77 -50.88 31.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.08 -47.55 85.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.542 HG21 ' O ' ' A' ' 47' ' ' VAL . 28.4 m -53.22 -46.02 68.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.1 mt -64.97 -44.58 96.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -52.51 -52.94 52.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.467 HD23 HD11 ' A' ' 54' ' ' LEU . 61.3 tp -60.48 -42.55 96.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.2 tp -46.17 -43.65 15.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.452 ' HG2' HG22 ' A' ' 94' ' ' VAL . 46.3 mtt180 -45.18 -45.2 11.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -56.3 -50.34 71.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -45.51 -63.12 1.03 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 25.1 tp -53.89 -35.44 61.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -66.32 -41.45 89.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -81.35 15.49 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.527 ' CG ' ' O ' ' A' ' 80' ' ' HIS . 20.6 t-160 57.74 32.37 21.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.1 t -81.25 -34.17 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.523 HG21 ' CZ ' ' A' ' 21' ' ' PHE . 20.0 pt -138.43 123.58 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -101.08 149.9 23.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.29 170.75 15.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.726 HG23 ' HD3' ' A' ' 86' ' ' LYS . 3.2 tp -59.25 -33.92 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.726 ' HD3' HG23 ' A' ' 85' ' ' ILE . 1.1 mppt? -85.93 -43.87 12.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 126.23 41.47 0.33 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.526 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -82.61 17.96 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.755 0.312 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -52.13 158.88 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.87 34.17 43.75 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 38.1 m -142.56 177.96 7.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.353 . . . . 0.0 110.877 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -117.53 -28.57 6.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -52.08 103.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 94' ' ' VAL . 35.6 m -144.46 116.42 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -111.09 168.15 9.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.85 15.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -63.36 178.59 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -80.78 15.65 1.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -56.34 114.56 2.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 72.6 mt -63.87 142.38 58.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.644 ' CE2' ' HB2' ' A' ' 43' ' ' ALA . 14.6 m-85 -131.34 175.85 8.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.2 ptm85 -165.56 169.67 15.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.516 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 30.0 t80 -112.14 139.0 21.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.516 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.5 Cg_endo -69.82 -173.57 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.252 . . . . 0.0 112.322 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 179.906 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.1 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.814 0.34 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.1 tttt -50.07 -48.56 53.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.586 HD21 ' ND2' ' A' ' 59' ' ' ASN . 7.9 mt -73.74 -52.92 11.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.521 ' O ' HG23 ' A' ' 18' ' ' THR . 64.3 t-105 -45.24 -47.74 12.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -66.24 -58.66 4.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -44.69 -48.63 10.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 13' ' ' LEU . 58.3 t -60.8 -58.99 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 14' ' ' TRP . 58.4 p -48.88 -42.14 35.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.178 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.9 m -57.08 -52.08 66.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.744 ' HB2' HD21 ' A' ' 53' ' ' LEU . 21.0 m -63.96 -60.5 3.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -50.76 -56.17 13.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -46.84 -46.01 20.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -63.87 -42.3 97.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.458 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.471 ' CB ' ' O ' ' A' ' 101' ' ' PHE . 64.2 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.859 0.361 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -118.54 127.7 53.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 81.7 p -67.51 133.19 49.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.23 -50.72 6.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.48 -53.08 13.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.436 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -56.1 -44.34 78.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.855 0.36 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.06 -37.6 72.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.4 ' O ' ' CB ' ' A' ' 51' ' ' TYR . 94.3 t -51.29 -44.79 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -75.44 -48.8 21.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.458 ' CZ2' ' HA3' ' A' ' 24' ' ' GLY . 5.6 t-105 -51.09 -45.61 61.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.717 HD21 HD23 ' A' ' 72' ' ' LEU . 30.5 tp -78.29 -46.54 19.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.514 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 47.2 t80 -54.15 -60.89 2.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.51 -39.09 22.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.822 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.744 HD21 ' HB2' ' A' ' 20' ' ' SER . 17.7 tp -64.46 -47.51 78.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 65.8 mt -61.23 -60.56 3.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.514 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 30.7 ptt85 -47.99 -43.71 29.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.469 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 18.1 t-20 -51.05 -37.02 42.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -80.21 150.49 30.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 59' ' ' ASN . 45.2 t -69.1 -48.5 62.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.586 ' ND2' HD21 ' A' ' 13' ' ' LEU . 32.7 m-20 -32.96 -54.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -87.97 -51.7 5.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.627 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 81.53 172.64 47.12 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -13.83 35.15 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.241 . . . . 0.0 112.339 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -61.89 -36.07 80.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.627 HG12 ' O ' ' A' ' 61' ' ' GLY . 14.3 p -52.58 138.45 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.1 t -114.45 173.16 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 69' ' ' THR . 12.2 mtm180 -53.57 -51.97 61.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' ARG . 0.8 OUTLIER -35.64 -52.89 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -58.55 -42.72 88.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 66' ' ' ARG . 88.9 m -55.55 -49.45 72.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 88.4 mt -57.77 -43.36 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -62.46 -45.94 90.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.717 HD23 HD21 ' A' ' 50' ' ' LEU . 18.7 tp -64.9 -47.5 77.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.0 tp -43.81 -45.69 7.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.472 ' HG2' HG22 ' A' ' 94' ' ' VAL . 56.5 mtt180 -47.62 -58.87 3.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -38.59 -57.94 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.545 ' HD1' HG11 ' A' ' 81' ' ' VAL . 72.4 m-85 -40.57 -60.74 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.496 HD11 ' O ' ' A' ' 88' ' ' ARG . 11.4 tp -53.19 -40.61 64.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -63.81 -39.93 95.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -79.29 10.76 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 63.77 32.84 13.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.545 HG11 ' HD1' ' A' ' 76' ' ' PHE . 95.8 t -83.61 -33.91 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.168 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 28.1 pt -144.23 127.92 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.466 ' CG ' ' HG3' ' A' ' 102' ' ' ARG . 17.3 pt-20 -109.42 153.41 24.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.595 ' OD1' HG22 ' A' ' 85' ' ' ILE . 2.7 t70 -74.11 161.69 29.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.595 HG22 ' OD1' ' A' ' 84' ' ' ASP . 4.7 tp -39.97 -34.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.129 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -84.63 -40.98 16.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 114.57 44.46 0.71 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.496 ' O ' HD11 ' A' ' 77' ' ' LEU . 17.4 ptp180 -97.69 102.85 14.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 30.3 p-90 -110.47 177.32 4.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 59.41 39.23 94.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.453 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.515 ' O ' ' CG ' ' A' ' 92' ' ' GLU . 57.4 m -115.86 -30.11 6.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.348 . . . . 0.0 110.865 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 91' ' ' SER . 5.2 pt-20 49.81 32.59 5.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -131.25 104.79 7.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.472 HG22 ' HG2' ' A' ' 74' ' ' ARG . 32.2 m -141.85 156.58 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -133.38 177.95 7.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 20.9 t70 -81.25 15.17 2.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -61.04 178.3 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.84 17.58 20.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -58.03 132.18 52.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 73.6 mt -67.27 143.67 56.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.471 ' O ' ' CB ' ' A' ' 40' ' ' CYS . 24.6 m-85 -135.33 175.06 9.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.466 ' HG3' ' CG ' ' A' ' 83' ' ' GLU . 3.8 ptm85 -159.56 174.0 15.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.563 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 3.4 t80 -108.42 135.48 19.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.686 0.755 . . . . 0.0 110.855 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.563 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.7 Cg_endo -69.8 -172.67 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.049 179.885 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.8 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.876 0.37 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 13' ' ' LEU . 2.9 ttmp? -39.57 -57.89 1.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.509 ' O ' HG23 ' A' ' 17' ' ' VAL . 13.0 tp -36.9 -50.78 0.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.483 ' CZ2' ' ND2' ' A' ' 79' ' ' ASN . 53.2 t-105 -57.56 -51.47 69.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -56.76 -47.2 80.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -54.73 -44.11 73.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.608 HG12 ' HZ ' ' A' ' 76' ' ' PHE . 91.9 t -64.29 -62.24 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.1 p -50.97 -39.73 56.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.3 m -59.8 -54.23 48.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.443 ' HB3' HD13 ' A' ' 53' ' ' LEU . 2.8 m -66.24 -56.06 13.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.413 ' O ' ' C ' ' A' ' 22' ' ' ARG . 34.6 t80 -46.74 -63.99 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.463 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 4.6 tmm_? -35.71 -60.34 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -60.22 -63.31 1.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.458 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.442 ' SG ' HD22 ' A' ' 100' ' ' LEU . 25.0 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.855 0.359 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -129.05 157.17 42.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 81.4 p -79.67 163.61 24.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.132 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.6 -43.43 84.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.83 -63.28 3.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.534 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -46.01 -41.89 12.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.367 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.93 -44.24 91.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.713 HG21 ' HB2' ' A' ' 96' ' ' ASP . 71.5 t -49.13 -43.98 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -64.06 -49.87 70.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.494 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 2.5 t-105 -56.58 -49.43 74.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.916 HD22 HG23 ' A' ' 69' ' ' THR . 3.8 tt -63.16 -47.68 81.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -45.98 -59.45 2.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -53.64 -42.06 67.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.443 HD13 ' HB3' ' A' ' 20' ' ' SER . 27.9 tp -59.29 -42.06 90.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.549 ' HG ' HD23 ' A' ' 50' ' ' LEU . 78.1 mt -62.78 -63.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.45 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 10.1 ptm180 -49.31 -41.95 39.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.45 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -45.5 -37.88 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -71.68 177.07 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.1 t -95.62 -44.28 7.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -52.98 -52.65 57.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -70.97 -60.6 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.75 176.55 45.71 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.5 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -9.25 25.64 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.674 2.249 . . . . 0.0 112.381 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -68.73 -28.16 66.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.1 p -53.87 137.66 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.434 HG23 ' HB2' ' A' ' 67' ' ' GLN . 14.1 t -115.29 155.07 27.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.18 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.486 ' HG3' HG11 ' A' ' 47' ' ' VAL . 15.2 ttm105 -40.26 -52.58 2.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.434 ' HB2' HG23 ' A' ' 65' ' ' THR . 33.1 mt-30 -38.55 -48.35 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -56.25 -44.4 79.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.916 HG23 HD22 ' A' ' 50' ' ' LEU . 25.8 m -54.6 -48.31 72.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 60.1 mt -59.3 -40.79 82.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -64.58 -52.64 56.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.76 HD23 HD21 ' A' ' 50' ' ' LEU . 24.3 tp -59.93 -41.75 92.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.8 tp -50.56 -41.36 54.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -47.71 -38.4 15.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 53.7 mttp -64.47 -45.91 85.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.608 ' HZ ' HG12 ' A' ' 17' ' ' VAL . 25.1 m-85 -48.66 -49.3 38.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.517 HD22 ' CG1' ' A' ' 94' ' ' VAL . 24.6 tp -67.96 -41.35 82.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 2.0 pttp -60.84 -32.78 72.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.483 ' ND2' ' CZ2' ' A' ' 14' ' ' TRP . 28.0 m-20 -88.1 6.55 35.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.56 ' CE1' ' CD2' ' A' ' 89' ' ' TRP . 6.2 t-160 65.07 35.03 8.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.805 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.1 t -81.51 -29.5 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.12 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 22.3 pt -139.43 125.68 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.438 ' CD ' ' HA2' ' A' ' 87' ' ' GLY . 6.4 tt0 -100.1 133.62 44.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.416 ' HA ' ' CD1' ' A' ' 101' ' ' PHE . 1.5 m-20 -54.9 177.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.411 HD13 ' SG ' ' A' ' 40' ' ' CYS . 3.8 tp -67.36 -32.12 55.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.077 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -83.59 -45.88 13.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.438 ' HA2' ' CD ' ' A' ' 83' ' ' GLU . . . 136.82 42.2 0.11 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.522 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -101.75 112.38 24.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.935 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.56 ' CD2' ' CE1' ' A' ' 80' ' ' HIS . 31.5 p-90 -133.56 149.03 51.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 106.91 -33.22 6.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.0 p -73.36 175.63 6.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.419 ' O ' HG22 ' A' ' 94' ' ' VAL . 36.5 mt-10 -118.0 -21.74 8.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -53.54 101.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 94' ' ' VAL . 24.0 m -140.77 107.84 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.424 ' HB3' ' ND2' ' A' ' 97' ' ' ASN . 2.2 m-20 -89.12 166.98 13.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.713 ' HB2' HG21 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -114.27 17.2 17.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.424 ' ND2' ' HB3' ' A' ' 95' ' ' ASP . 1.9 m-80 -91.68 -64.78 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 98' ' ' ASN . 0.1 OUTLIER -156.85 102.79 2.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -154.35 102.12 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.442 HD22 ' SG ' ' A' ' 40' ' ' CYS . 82.6 mt -65.87 138.96 58.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 84' ' ' ASP . 29.4 m-85 -134.28 163.8 28.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.408 ' HB2' ' NH1' ' A' ' 102' ' ' ARG . 1.4 ptm85 -153.1 115.1 4.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.869 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.518 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 19.5 t80 -57.72 139.35 81.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.7 Cg_endo -69.72 164.11 35.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.668 2.246 . . . . 0.0 112.367 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.058 179.88 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.6 p -145.24 124.98 13.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.884 0.373 . . . . 0.0 110.841 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.9 t -103.72 120.58 41.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.851 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.05 58.68 0.3 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -78.81 148.71 32.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.809 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 m -113.86 122.91 48.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.01 42.93 87.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -49.21 -41.6 37.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -54.84 -58.0 9.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.46 -43.4 98.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.3 m -57.89 -44.15 86.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -54.6 -55.83 25.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.451 HD21 ' CE1' ' A' ' 60' ' ' PHE . 32.5 tp -49.5 -60.13 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.972 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -46.84 -52.48 14.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -57.21 -48.2 79.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.27 -56.45 18.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.4 t -58.19 -58.21 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.6 p -50.28 -38.82 43.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.1 m -64.73 -42.71 95.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.125 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.49 ' OG ' HD21 ' A' ' 53' ' ' LEU . 80.7 p -70.71 -42.78 70.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.819 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' ' 21' ' ' PHE . 8.2 t80 -64.18 -57.19 10.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.4 ' CG ' ' CZ ' ' A' ' 103' ' ' PHE . 0.3 OUTLIER -41.89 -51.67 4.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -77.24 -64.06 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . 33.02 -109.99 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.459 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.2 mmt -110.44 154.38 43.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.533 0.682 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -50.86 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.0 mt -159.96 156.85 27.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.589 ' HB3' ' CE1' ' A' ' 30' ' ' HIS . 53.5 mtm-85 -129.38 144.24 51.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -86.19 107.62 17.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.589 ' CE1' ' HB3' ' A' ' 28' ' ' ARG . 28.9 m-70 -115.74 152.53 33.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.2 tpp180 -60.31 127.43 31.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -155.1 117.97 4.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -82.44 -41.69 19.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -84.56 173.06 11.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -106.07 -14.37 15.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -39.66 -45.18 1.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -122.4 166.33 14.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.52 -40.31 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -87.09 4.07 43.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 110.927 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 87.8 m -94.72 174.49 7.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.419 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 11.0 p90 -145.08 141.19 28.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.0 p -69.81 138.93 53.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.542 ' HB2' ' HE2' ' A' ' 101' ' ' PHE . . . -45.42 -48.64 13.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.16 -66.81 0.85 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -41.75 -46.98 3.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 0.0 110.917 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.17 -44.32 79.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.644 HG21 ' HB2' ' A' ' 96' ' ' ASP . 88.0 t -43.99 -43.86 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -72.25 -55.37 7.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.589 ' CE3' ' O ' ' A' ' 49' ' ' TRP . 2.4 t-105 -47.15 -43.38 20.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.3 tp -78.97 -51.11 10.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -47.01 -58.76 3.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -54.78 -40.78 69.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.49 HD21 ' OG ' ' A' ' 20' ' ' SER . 3.8 tp -63.73 -34.42 77.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.8 mt -70.14 -57.98 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.962 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -53.86 -42.39 68.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -46.69 -39.67 11.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -67.29 177.41 1.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.6 t -97.15 -38.2 9.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.79 -53.26 54.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.451 ' CE1' HD21 ' A' ' 13' ' ' LEU . 61.8 m-85 -80.55 -41.18 24.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.61 177.67 2.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -6.71 19.24 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -66.37 -29.63 69.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.78 130.96 29.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.1 t -108.95 164.72 12.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -45.0 -50.2 10.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -44.63 -48.19 10.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -57.67 -41.39 81.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.8 m -54.51 -53.32 55.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 34.7 mt -57.27 -43.01 81.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -60.51 -48.06 83.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.35 -48.02 77.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.6 tp -44.14 -42.9 6.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -46.37 -37.78 7.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -68.0 -41.73 81.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -51.98 -54.64 27.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 82' ' ' ILE . 20.3 tp -59.35 -38.07 79.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -66.7 -40.03 88.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -77.62 8.15 4.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 66.77 31.94 7.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.1 t -79.91 -35.14 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.419 ' O ' HD12 ' A' ' 77' ' ' LEU . 19.9 pt -141.21 124.09 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -100.28 143.72 30.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 84' ' ' ASP . 0.6 OUTLIER -60.01 169.69 1.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.43 HG23 ' N ' ' A' ' 86' ' ' LYS . 4.8 tt -62.26 -41.23 90.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.175 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.43 ' N ' HG23 ' A' ' 85' ' ' ILE . 20.5 mmtp -72.05 -48.77 41.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 134.95 36.56 0.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.525 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.4 ' O ' ' OD1' ' A' ' 84' ' ' ASP . 21.5 mmt180 -103.53 113.7 27.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.784 0.326 . . . . 0.0 110.849 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 29.3 p-90 -129.53 149.74 51.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 103.57 51.1 0.99 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.2 m -148.95 157.56 43.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 110.839 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -112.02 16.88 20.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -110.26 107.44 17.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.1 m -139.77 119.68 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.477 ' HB3' ' ND2' ' A' ' 97' ' ' ASN . 3.2 m-20 -89.03 159.96 17.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.644 ' HB2' HG21 ' A' ' 47' ' ' VAL . 14.2 p-10 -113.56 15.97 18.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.477 ' ND2' ' HB3' ' A' ' 95' ' ' ASP . 2.6 m-80 -86.2 -67.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -156.06 108.07 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -157.96 120.6 3.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 35.9 mt -80.26 127.71 32.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.542 ' HE2' ' HB2' ' A' ' 43' ' ' ALA . 36.9 m-85 -121.17 176.4 5.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.4 ptt85 -162.74 162.55 26.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.572 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 2.7 t80 -85.32 135.29 39.12 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.598 0.714 . . . . 0.0 110.938 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.572 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 54.4 Cg_endo -69.69 -174.93 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.707 2.271 . . . . 0.0 112.388 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.076 179.886 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -130.81 159.11 38.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.912 0.387 . . . . 0.0 110.87 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -144.32 127.57 16.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.13 40.04 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -77.52 147.83 35.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 110.851 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.4 p -129.64 148.05 51.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.25 48.91 83.67 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -63.23 -44.87 94.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.38 . . . . 0.0 110.972 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -46.12 -49.78 16.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.89 -46.12 63.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.4 m -51.43 -46.12 62.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -52.22 -43.96 64.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.6 tp -71.52 -58.62 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -49.93 -35.14 22.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -75.79 -25.47 56.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -79.64 -45.02 19.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.3 p -68.79 -32.84 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.164 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.3 p -75.55 -44.56 42.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.9 m -58.66 -48.81 79.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -68.23 -53.77 22.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.551 ' CD2' HD13 ' A' ' 50' ' ' LEU . 39.6 t80 -52.7 -52.37 56.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.407 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 1.5 tmt_? -40.11 -54.23 2.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.34 -63.37 1.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 39.15 -132.35 1.89 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.1 tpt -96.01 136.69 21.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.584 0.707 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -178.16 2.21 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.37 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.413 HD22 ' O ' ' A' ' 39' ' ' ASN . 43.8 mt -62.98 136.87 58.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -140.17 156.85 46.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -66.1 141.36 58.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.475 ' HB2' ' NE2' ' A' ' 32' ' ' GLN . 0.9 OUTLIER -129.94 172.2 11.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' HIS . 4.6 mpt_? -37.82 -48.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.558 ' HG3' ' CD2' ' A' ' 37' ' ' TYR . 15.0 pm0 -64.18 160.3 18.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -95.36 143.45 26.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.823 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -39.39 -44.57 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -45.74 -60.12 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.55 -66.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.558 ' CD2' ' HG3' ' A' ' 32' ' ' GLN . 27.1 p90 -166.71 159.41 13.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.97 -43.26 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.413 ' O ' HD22 ' A' ' 27' ' ' LEU . 57.3 t-20 -52.05 -43.0 63.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.341 . . . . 0.0 110.929 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.449 ' SG ' HD13 ' A' ' 100' ' ' LEU . 19.6 p -77.8 149.28 34.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -126.36 142.4 51.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 68.0 p -62.33 143.11 57.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.613 ' HB2' ' CE1' ' A' ' 101' ' ' PHE . . . -55.85 -48.05 76.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.089 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.2 -56.22 3.37 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -50.33 -47.48 55.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 0.0 110.919 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.02 -45.04 71.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.09 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.7 t -43.48 -47.3 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -66.93 -45.86 76.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.596 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 1.5 t-105 -55.58 -51.09 68.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.551 HD13 ' CD2' ' A' ' 21' ' ' PHE . 25.9 tp -67.62 -38.53 84.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 85.9 t80 -51.62 -59.9 3.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.83 -50.95 59.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.2 tp -56.44 -43.16 79.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 69.7 mt -64.3 -64.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.565 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 14.2 ptt85 -48.51 -43.96 35.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.414 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 15.0 t-20 -45.38 -43.68 11.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.513 ' ND2' ' H ' ' A' ' 59' ' ' ASN . 8.0 t30 -72.18 174.05 7.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.436 ' N ' ' ND2' ' A' ' 57' ' ' ASN . 57.8 m -89.0 -54.83 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.513 ' H ' ' ND2' ' A' ' 57' ' ' ASN . 15.2 m120 -35.43 -55.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -79.59 -41.18 27.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.662 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 61.12 174.31 1.28 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.506 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -16.07 37.68 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.354 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -60.62 -28.56 68.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 61' ' ' GLY . 14.8 p -61.7 133.41 27.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.3 p -116.69 166.74 11.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -42.48 -53.48 4.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -43.26 -53.31 5.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -63.18 -42.31 99.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 49.1 m -54.99 -45.8 75.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.6 mt -61.83 -49.8 82.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -49.25 -44.0 43.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 47.4 tp -66.49 -45.26 80.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.0 tp -42.88 -39.77 2.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.75 ' HG2' HG22 ' A' ' 94' ' ' VAL . 26.7 mtt-85 -50.68 -46.3 58.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -52.51 -56.46 15.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.565 ' HD2' HG11 ' A' ' 81' ' ' VAL . 81.6 m-85 -42.85 -60.09 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 82' ' ' ILE . 21.0 tp -52.67 -42.35 64.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.411 ' HD2' ' C ' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -63.36 -38.77 92.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.845 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -78.98 9.59 4.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.432 ' CG ' ' O ' ' A' ' 80' ' ' HIS . 23.5 t-160 65.77 32.32 8.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.565 HG11 ' HD2' ' A' ' 76' ' ' PHE . 99.2 t -82.52 -37.03 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.496 ' O ' HD12 ' A' ' 77' ' ' LEU . 15.9 pt -140.19 126.26 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -102.38 151.45 22.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -81.41 154.36 26.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 86' ' ' LYS . 10.4 tt -43.28 -42.1 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.436 ' N ' HG23 ' A' ' 85' ' ' ILE . 47.3 mmtt -80.77 -43.79 19.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 127.65 53.86 0.13 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.454 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? -91.31 17.61 8.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 9.3 p-90 -59.79 150.23 28.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 102.09 -32.81 7.1 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.533 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 85.6 p -88.97 172.27 9.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.441 ' O ' ' NH1' ' A' ' 74' ' ' ARG . 16.9 pt-20 -117.97 17.55 14.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 65.1 t-20 -90.08 108.61 19.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.75 HG22 ' HG2' ' A' ' 74' ' ' ARG . 33.7 m -140.37 163.09 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.084 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 94' ' ' VAL . 4.3 m-20 -161.86 168.94 22.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.52 10.56 5.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -57.21 177.17 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -78.66 10.17 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -63.33 107.56 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.449 HD13 ' SG ' ' A' ' 40' ' ' CYS . 8.4 mt -60.26 166.38 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.613 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 33.0 m-85 -145.18 170.44 16.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -155.19 171.19 20.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.523 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 27.1 t80 -110.27 139.3 21.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.9 Cg_endo -69.76 155.85 64.85 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.688 2.258 . . . . 0.0 112.352 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.895 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 1' ' ' GLY . 24.0 m -35.25 -43.92 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.89 0.376 . . . . 0.0 110.858 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.2 t -118.85 150.74 39.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.7 44.92 1.19 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.4 p -155.79 156.84 35.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 110.892 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 m -127.91 177.0 7.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.99 81.31 0.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.507 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -89.58 -54.4 4.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 110.943 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.7 mtm180 -84.25 -45.5 12.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -39.96 -56.03 1.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.07 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 t -69.71 -39.14 77.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.172 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -44.48 -28.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 mt -74.12 -58.16 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.575 ' O ' HG23 ' A' ' 18' ' ' THR . 62.0 t-105 -51.39 -41.86 60.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -64.16 -54.37 34.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -54.13 -46.7 72.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.4 t -60.15 -63.09 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 14' ' ' TRP . 74.3 p -44.27 -41.42 5.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.143 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.1 m -63.16 -59.09 5.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.453 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.1 m -49.19 -49.24 43.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.426 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 13.8 t80 -47.08 -62.02 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -51.71 -65.58 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -51.11 -27.32 8.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.535 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . -36.51 -86.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.2 ptm -120.46 133.92 24.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 179.56 3.6 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.664 2.243 . . . . 0.0 112.323 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.6 tp -87.49 118.1 26.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -123.15 146.16 48.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -57.76 165.44 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -114.8 170.46 8.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 -60.58 -24.02 65.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.408 ' OE1' ' O ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -55.85 102.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -62.16 -54.52 39.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.408 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 4.3 t80 -52.02 167.14 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 35' ' ' LYS . 1.9 mptt -94.35 16.57 14.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt -43.54 -38.47 2.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 37' ' ' TYR . 6.6 p90 -156.01 142.36 18.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.48 -117.54 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.466 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.2 m-20 -109.6 107.87 18.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.911 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 99.2 m -130.8 164.41 25.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.417 ' O ' ' CD1' ' A' ' 41' ' ' PHE . 32.8 p90 -139.9 133.56 30.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 44.6 p -59.79 150.04 29.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.161 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.04 -51.47 69.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 45' ' ' GLU . . . -41.0 -69.48 0.5 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 44' ' ' GLY . 24.1 tt0 -36.06 -56.18 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.873 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.47 -46.93 9.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.078 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.46 ' CG1' ' HG3' ' A' ' 66' ' ' ARG . 65.3 t -45.65 -41.5 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -68.05 -52.65 32.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.595 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 1.1 t-105 -54.21 -54.4 40.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.8 tp -63.48 -48.17 78.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.682 ' HA ' HD12 ' A' ' 54' ' ' LEU . 64.4 t80 -50.61 -63.17 1.21 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -44.15 -46.55 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.87 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.453 HD21 ' HB2' ' A' ' 20' ' ' SER . 14.6 tp -61.98 -43.31 99.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 51' ' ' TYR . 13.9 mt -60.81 -56.02 26.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 9.5 ptm180 -57.68 -42.17 83.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.456 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 20.2 t-20 -50.1 -38.07 36.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -68.2 174.12 4.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.8 t -94.46 -51.71 4.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -38.8 -59.21 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -77.83 -42.23 34.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.601 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 66.66 178.96 10.01 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -16.18 37.27 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.644 2.229 . . . . 0.0 112.33 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -55.42 -35.72 65.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 61' ' ' GLY . 14.7 p -59.72 134.47 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 66' ' ' ARG . 14.8 t -115.84 162.84 16.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.46 ' HG3' ' CG1' ' A' ' 47' ' ' VAL . 23.9 ttt-85 -37.72 -49.81 1.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -41.02 -53.01 3.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.426 ' CB ' HG23 ' A' ' 64' ' ' VAL . 21.8 mm100 -54.69 -43.57 72.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.1 m -54.34 -49.43 69.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.189 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 62.1 mt -59.92 -41.27 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -65.14 -50.34 66.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.6 tp -61.25 -47.37 86.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.4 tp -43.53 -45.17 6.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -43.15 -37.32 2.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.436 ' HA ' ' HZ1' ' A' ' 78' ' ' LYS . 42.7 mttm -70.65 -39.66 73.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -53.25 -56.04 19.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.498 HD22 ' CG1' ' A' ' 94' ' ' VAL . 36.5 tp -55.02 -44.5 74.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.436 ' HZ1' ' HA ' ' A' ' 75' ' ' LYS . 7.3 ttpm? -62.96 -36.67 84.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -81.66 16.21 1.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.419 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 23.4 t-160 60.24 32.07 20.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 67.3 t -80.92 -36.54 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.6 pt -140.7 127.48 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -104.59 148.1 26.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.417 ' HA ' ' CD1' ' A' ' 101' ' ' PHE . 0.7 OUTLIER -63.37 174.81 1.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.4 tt -73.13 -29.75 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -83.78 -46.35 12.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 133.95 44.93 0.12 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.492 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -109.92 104.07 12.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 0.0 110.906 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.53 ' CG ' ' O ' ' A' ' 89' ' ' TRP . 7.6 p-90 -130.23 119.3 22.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 141.2 37.97 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.7 p -151.61 170.0 20.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 110.854 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -117.51 17.89 14.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -96.39 103.02 14.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.498 ' CG1' HD22 ' A' ' 77' ' ' LEU . 23.1 m -144.67 124.74 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.48 153.33 21.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -79.65 11.64 3.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -80.35 178.02 8.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.05 102.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -148.65 103.6 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 18.8 mt -59.36 137.41 58.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.417 ' CD1' ' HA ' ' A' ' 84' ' ' ASP . 10.8 m-85 -132.74 172.85 12.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -152.43 166.22 32.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.518 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 4.5 t80 -105.68 140.64 21.39 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.659 0.742 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.5 Cg_endo -69.85 178.4 4.67 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.287 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.884 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.5 p -87.36 -43.64 11.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.364 . . . . 0.0 110.852 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.6 m -126.8 158.45 36.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.07 103.88 3.1 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.3 p -124.1 132.01 53.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.92 0.39 . . . . 0.0 110.856 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 m -103.37 -37.44 7.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.41 40.48 3.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.448 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -65.37 -48.73 71.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.857 0.361 . . . . 0.0 110.89 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -39.67 -47.85 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.1 -42.23 60.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 12' ' ' LYS . 92.5 m -50.5 -62.38 1.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 11' ' ' THR . 10.6 tmtt? -34.58 -62.42 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.83 HD21 ' CE1' ' A' ' 60' ' ' PHE . 12.1 tp -47.52 -68.01 0.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.572 ' O ' HG23 ' A' ' 18' ' ' THR . 6.8 t-105 -41.84 -45.46 3.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -62.56 -36.61 83.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 13' ' ' LEU . 4.5 tm-20 -68.24 -56.82 7.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 18' ' ' THR . 6.3 p -57.79 -44.91 86.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.644 HG22 ' CE1' ' A' ' 76' ' ' PHE . 58.8 p -62.87 -56.04 20.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.1 m -50.1 -53.61 26.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.9 m -58.0 -46.07 85.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -56.89 -46.89 81.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.822 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 103' ' ' PHE . 1.1 ttm180 -54.2 -64.69 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -55.32 -63.23 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . 34.47 -112.81 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.1 mmt -147.2 158.63 44.13 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.572 0.701 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -176.8 1.61 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.729 2.286 . . . . 0.0 112.313 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.575 HD13 HD22 ' A' ' 39' ' ' ASN . 3.0 mp -119.41 110.06 16.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -97.66 -50.13 4.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.54 -67.69 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -61.2 114.68 3.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -143.52 123.81 13.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -156.86 153.72 28.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -54.19 137.27 41.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' LYS . 18.8 m-85 -48.58 -48.34 39.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -35.48 -50.88 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -80.65 -66.7 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -166.24 166.36 16.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.56 147.37 12.58 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.548 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.575 HD22 HD13 ' A' ' 27' ' ' LEU . 14.1 m120 55.8 47.55 20.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.922 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 28.5 p -106.82 151.21 25.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -133.45 130.18 38.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.8 p -65.26 131.08 45.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.482 ' HB2' ' CE1' ' A' ' 101' ' ' PHE . . . -38.19 -50.76 1.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.07 -53.95 28.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -46.44 -48.77 18.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.9 0.381 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.56 -44.55 85.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.465 ' O ' ' CB ' ' A' ' 51' ' ' TYR . 89.2 t -44.13 -36.08 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -79.53 -56.0 4.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.458 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 2.2 t-105 -49.38 -54.33 17.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.412 HD23 ' CG2' ' A' ' 69' ' ' THR . 22.3 tp -66.38 -41.47 89.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.465 ' CB ' ' O ' ' A' ' 47' ' ' VAL . 12.7 t80 -51.64 -62.57 1.54 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -44.67 -45.02 9.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.1 tp -62.25 -40.73 97.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.64 -52.25 65.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -62.85 -37.78 88.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -59.07 -37.91 78.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -58.18 165.33 2.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 91.5 p -97.26 -37.03 10.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -55.15 -42.81 73.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.83 ' CE1' HD21 ' A' ' 13' ' ' LEU . 3.2 m-30 -88.95 -59.56 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.465 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 95.33 175.05 37.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.439 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -2.17 9.73 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.73 2.287 . . . . 0.0 112.322 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -76.02 -24.45 55.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.465 HG12 ' O ' ' A' ' 61' ' ' GLY . 13.6 p -62.21 126.96 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.054 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.4 p -116.29 169.28 9.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.425 ' CG ' HG11 ' A' ' 47' ' ' VAL . 22.5 ttm-85 -41.61 -49.15 4.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -43.77 -47.88 8.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -66.67 -41.65 87.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.412 ' CG2' HD23 ' A' ' 50' ' ' LEU . 27.8 m -56.87 -56.1 25.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 87.4 mt -52.58 -42.45 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -57.25 -47.59 80.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 53.5 tp -67.33 -40.45 85.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.0 tp -48.53 -35.01 12.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.48 ' HG3' ' CG2' ' A' ' 94' ' ' VAL . 10.7 mtt-85 -58.27 -46.9 85.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.814 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -53.22 -61.67 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.644 ' CE1' HG22 ' A' ' 18' ' ' THR . 22.7 m-85 -39.03 -58.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.59 HD12 ' O ' ' A' ' 82' ' ' ILE . 41.1 tp -47.49 -50.53 23.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -66.73 -28.13 68.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -83.31 15.89 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.537 ' HB2' ' CZ3' ' A' ' 89' ' ' TRP . 3.2 t-160 56.15 31.98 19.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.597 ' O ' ' CE1' ' A' ' 103' ' ' PHE . 93.5 t -88.04 -36.87 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.59 ' O ' HD12 ' A' ' 77' ' ' LEU . 5.5 pt -140.76 118.66 9.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -97.36 149.82 21.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.45 ' OD1' HG22 ' A' ' 85' ' ' ILE . 1.7 t70 -76.07 178.14 6.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.45 HG22 ' OD1' ' A' ' 84' ' ' ASP . 4.2 tp -71.84 -25.56 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -84.15 -48.07 10.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 132.06 47.35 0.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.433 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.538 ' O ' HD11 ' A' ' 77' ' ' LEU . 27.1 mmt-85 -123.34 111.84 16.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' A' ' 80' ' ' HIS . 31.6 p-90 -117.32 -35.78 3.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.39 70.78 3.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.518 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.4 p -162.44 161.57 27.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.843 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.443 ' O ' ' NH1' ' A' ' 74' ' ' ARG . 7.5 pt-20 -117.88 17.76 14.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -99.93 102.7 14.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.48 ' CG2' ' HG3' ' A' ' 74' ' ' ARG . 3.5 m -143.58 132.96 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -122.43 167.13 13.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.458 ' CG ' HG21 ' A' ' 47' ' ' VAL . 12.4 m-20 -82.21 16.29 2.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -63.95 178.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -77.69 10.28 2.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -53.0 117.69 3.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.7 153.6 41.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.482 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 26.7 m-85 -141.78 172.32 12.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.405 ' HB2' ' NH1' ' A' ' 102' ' ' ARG . 0.7 OUTLIER -160.69 171.35 19.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 81' ' ' VAL . 13.2 t80 -103.42 139.64 20.31 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.632 0.73 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.8 Cg_endo -69.75 178.72 4.28 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 2.238 . . . . 0.0 112.349 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.098 179.888 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m 60.9 43.23 12.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 110.864 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.3 t -98.93 158.89 15.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.18 43.54 2.27 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.537 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 p -113.3 126.05 54.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 110.885 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -103.93 132.85 49.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.831 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.11 91.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.495 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.468 ' CD1' ' C ' ' A' ' 8' ' ' TYR . 3.2 t80 -63.12 -59.68 4.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 110.919 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 10' ' ' ALA . 33.9 mmm-85 -41.79 -48.7 4.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.823 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 9' ' ' ARG . . . -35.85 -48.15 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 12' ' ' LYS . 63.1 p -52.4 -55.6 20.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 11' ' ' THR . 22.5 tptt -37.66 -45.08 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.544 HD21 ' HE1' ' A' ' 60' ' ' PHE . 3.7 tt -62.0 -61.44 2.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.808 ' O ' HG23 ' A' ' 18' ' ' THR . 7.9 t-105 -49.83 -45.11 49.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -61.65 -39.92 93.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -65.89 -55.09 18.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 p -61.44 -36.57 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.808 HG23 ' O ' ' A' ' 14' ' ' TRP . 57.4 p -68.25 -43.13 78.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.9 m -66.52 -39.38 88.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.7 p -66.78 -50.64 62.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -44.97 -62.29 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -46.61 -63.75 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -53.55 -28.61 32.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.555 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . -33.62 -43.99 0.29 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.551 ' N ' ' CD ' ' A' ' 26' ' ' PRO . 16.8 mtt 63.56 47.59 0.81 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.581 0.705 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 25' ' ' MET . 54.0 Cg_endo -69.71 6.24 1.37 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.721 2.281 . . . . 0.0 112.328 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.765 HD11 ' O ' ' A' ' 38' ' ' GLY . 13.2 tp -97.92 103.75 15.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -97.92 -67.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -153.99 174.07 15.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 31' ' ' ARG . 27.8 m-70 -152.91 122.62 6.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' HIS . 48.5 mtt-85 -35.65 -59.8 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.433 ' HG2' ' CZ ' ' A' ' 37' ' ' TYR . 2.9 mp0 -52.98 133.49 38.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -60.28 149.18 34.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.487 ' CG ' ' N ' ' A' ' 35' ' ' LYS . 3.5 p90 -50.99 -44.04 60.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.487 ' N ' ' CG ' ' A' ' 34' ' ' PHE . 65.9 tttt -34.94 -45.88 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -84.11 -61.02 1.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.492 ' CD1' ' C ' ' A' ' 37' ' ' TYR . 3.3 p90 -168.03 166.1 13.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.765 ' O ' HD11 ' A' ' 27' ' ' LEU . . . 177.65 -37.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.62 ' HA ' HD21 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -57.71 -26.99 62.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.919 -179.894 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 25.1 p -83.99 136.98 33.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -113.36 146.24 39.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.3 p -61.53 142.22 57.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.877 ' HB2' ' CE1' ' A' ' 101' ' ' PHE . . . -56.4 -47.47 78.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.073 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.62 -70.39 0.39 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.546 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -39.9 -54.59 2.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 43' ' ' ALA . . . -42.72 -44.12 4.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.469 HG11 ' CZ ' ' A' ' 66' ' ' ARG . 91.9 t -46.66 -43.98 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -70.37 -58.66 3.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.839 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.555 ' CZ2' ' HA3' ' A' ' 24' ' ' GLY . 2.6 t-105 -45.48 -45.91 13.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.7 tp -72.3 -46.5 55.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -55.47 -63.4 1.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -45.74 -38.61 7.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 tp -68.23 -44.09 76.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 57' ' ' ASN . 26.1 mt -65.47 -62.33 1.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -43.28 -36.36 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -69.94 -37.4 75.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 54' ' ' LEU . 2.7 m120 -63.47 155.24 29.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' ASN . 30.8 t -74.59 -59.06 2.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' SER . 20.7 m-80 -35.97 -60.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.544 ' HE1' HD21 ' A' ' 13' ' ' LEU . 57.6 m-85 -73.61 -45.95 49.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.18 163.91 10.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 2.96 3.08 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.622 2.215 . . . . 0.0 112.342 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -89.87 15.53 9.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.0 p -90.59 146.57 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.4 t -119.1 159.7 23.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 69' ' ' THR . 30.0 ttt85 -41.74 -57.93 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' ARG . 49.2 mt-30 -35.56 -55.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -56.7 -40.19 75.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 66' ' ' ARG . 28.7 m -59.98 -57.15 14.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.3 mt -52.33 -45.24 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -54.87 -57.49 11.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.7 tp -53.69 -43.57 69.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 tp -49.44 -42.73 43.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.854 ' HG2' HG22 ' A' ' 94' ' ' VAL . 57.2 mtt180 -51.95 -49.82 62.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.6 -57.88 7.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.602 ' HE1' HG22 ' A' ' 18' ' ' THR . 16.9 m-85 -41.06 -58.18 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.719 HD11 ' O ' ' A' ' 88' ' ' ARG . 4.0 tp -56.26 -30.55 62.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -73.95 -42.56 60.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -77.46 11.91 1.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 67.35 33.02 5.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.538 ' O ' ' CE1' ' A' ' 103' ' ' PHE . 93.7 t -86.21 -27.77 6.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.711 ' O ' HD12 ' A' ' 77' ' ' LEU . 10.9 pt -147.43 120.58 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.447 ' CG ' ' HG3' ' A' ' 102' ' ' ARG . 16.2 pt-20 -98.92 142.34 30.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.466 ' OD2' HG22 ' A' ' 85' ' ' ILE . 24.5 t70 -81.2 159.76 24.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.467 HG23 ' HD2' ' A' ' 86' ' ' LYS . 2.7 tp -39.76 -34.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.467 ' HD2' HG23 ' A' ' 85' ' ' ILE . 0.8 OUTLIER -76.68 -48.54 18.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.858 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 120.73 37.97 0.69 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.497 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.719 ' O ' HD11 ' A' ' 77' ' ' LEU . 73.3 mtm180 -102.22 104.64 15.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 110.896 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 16.9 p-90 -112.79 17.92 18.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -125.81 58.32 0.68 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.434 ' O ' HD23 ' A' ' 77' ' ' LEU . 13.6 p -161.67 158.51 26.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 110.856 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -117.41 17.95 14.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -99.34 102.75 14.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.854 HG22 ' HG2' ' A' ' 74' ' ' ARG . 33.7 m -140.43 129.09 25.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.126 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -117.78 168.3 10.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.55 12.2 2.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -54.16 178.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -78.88 11.64 2.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -57.15 135.47 56.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 25.9 mt -87.76 142.62 27.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.877 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 60.2 m-85 -130.61 153.9 48.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.447 ' HG3' ' CG ' ' A' ' 83' ' ' GLU . 7.4 ptm180 -142.58 175.1 10.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.538 ' CE1' ' O ' ' A' ' 81' ' ' VAL . 3.7 t80 -101.26 140.63 21.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.62 0.724 . . . . 0.0 110.94 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.7 Cg_endo -69.73 162.04 43.61 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.863 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.6 t -79.04 -55.29 5.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -124.94 109.67 13.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.54 81.92 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 p -111.07 174.0 6.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.339 . . . . 0.0 110.891 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -105.24 142.18 35.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.79 58.53 5.42 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.481 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -51.7 -60.29 3.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.892 0.377 . . . . 0.0 110.925 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -37.17 -46.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.91 -46.25 45.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.0 m -40.94 -59.06 1.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.57 -43.66 8.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.553 HD21 ' CE1' ' A' ' 60' ' ' PHE . 31.1 tp -72.46 -63.26 1.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 38.1 t-105 -42.27 -37.27 1.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -71.1 -34.32 71.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 13' ' ' LEU . 7.6 mt-10 -70.89 -50.95 29.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 18' ' ' THR . 5.8 p -61.15 -42.86 94.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.422 ' N ' HG13 ' A' ' 17' ' ' VAL . 13.0 p -62.03 -48.13 81.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.3 m -57.23 -40.98 78.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 m -69.91 -57.75 4.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -53.47 -50.15 65.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.505 ' HG2' ' CE2' ' A' ' 103' ' ' PHE . 3.6 tmt_? -43.64 -57.74 3.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -67.93 -63.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . 34.22 -128.62 0.52 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.439 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 mmt -100.5 152.86 37.95 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.617 0.722 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.673 2.249 . . . . 0.0 112.337 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 tp -168.06 163.51 13.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 49.2 ttm-85 -132.35 148.16 52.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -65.48 126.9 29.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -114.95 165.85 12.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.84 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -53.43 -59.11 5.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 18.1 tp60 -82.81 162.37 21.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 34' ' ' PHE . 25.6 m-70 -63.45 121.94 15.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 35' ' ' LYS . 6.1 m-85 -35.4 -53.85 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' PHE . 32.7 tptt -33.82 -57.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.02 -56.61 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.42 ' CD1' ' CD1' ' A' ' 100' ' ' LEU . 6.5 m-85 -76.05 -64.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 116.13 57.14 0.33 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.7 t30 65.86 42.68 3.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 78.4 m -110.73 139.79 45.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -110.98 142.61 42.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.6 p -68.92 139.6 55.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.503 ' HB2' ' CE2' ' A' ' 101' ' ' PHE . . . -51.47 -45.81 62.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.082 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -45.97 -57.24 6.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -54.24 -43.65 71.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.819 0.342 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.66 80.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 43' ' ' ALA . 93.2 t -43.79 -43.96 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.078 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -72.13 -41.8 66.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.513 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 3.4 t-105 -59.47 -41.03 88.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.532 ' HG ' HD11 ' A' ' 54' ' ' LEU . 51.7 tp -79.24 -42.36 26.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -61.23 -43.02 99.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -68.73 -23.34 64.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.505 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 6.6 tp -85.52 -27.86 25.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.532 HD11 ' HG ' ' A' ' 50' ' ' LEU . 12.7 mt -80.81 -44.09 19.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.484 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 4.8 ptm180 -53.94 -38.53 65.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -65.34 -38.23 89.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 28.0 t30 -62.18 152.91 31.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.3 m -80.56 -48.69 12.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -40.78 -58.59 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.553 ' CE1' HD21 ' A' ' 13' ' ' LEU . 88.0 m-85 -80.11 -50.33 10.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.49 172.15 48.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -6.92 19.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.634 2.223 . . . . 0.0 112.372 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -67.35 -22.25 65.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p -58.63 135.82 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' ARG . 13.2 t -126.25 162.89 24.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' THR . 18.5 mtm180 -37.49 -56.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -40.8 -63.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -52.3 -44.69 65.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.1 m -53.52 -50.1 66.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 48.9 mt -54.43 -46.9 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.125 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -60.14 -47.31 86.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 73' ' ' LEU . 65.6 tp -60.75 -56.09 25.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.578 HD23 HG21 ' A' ' 94' ' ' VAL . 10.1 tp -37.42 -43.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.494 ' HG2' HG22 ' A' ' 94' ' ' VAL . 77.3 mtt180 -46.37 -54.98 8.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -41.88 -52.56 4.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.558 ' HD2' HG11 ' A' ' 81' ' ' VAL . 77.5 m-85 -48.06 -57.72 5.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.724 HD21 ' HB2' ' A' ' 91' ' ' SER . 10.4 tp -56.53 -39.48 73.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -62.49 -42.13 99.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -79.93 12.47 2.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 61.91 32.7 17.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.558 HG11 ' HD2' ' A' ' 76' ' ' PHE . 84.4 t -82.63 -29.05 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.154 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 34.5 pt -147.39 131.08 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.477 ' CG ' ' HG3' ' A' ' 102' ' ' ARG . 9.5 pt-20 -103.93 168.53 9.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.86 172.25 8.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.797 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.453 HG23 ' N ' ' A' ' 86' ' ' LYS . 3.4 tp -37.38 -49.7 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.453 ' N ' HG23 ' A' ' 85' ' ' ILE . 2.3 mptm? -68.67 -46.74 68.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 114.1 35.19 1.52 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.4 ptp85 -103.26 113.73 27.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 0.0 110.856 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 41.8 p-90 -101.15 176.98 5.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.31 44.19 52.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.724 ' HB2' HD21 ' A' ' 77' ' ' LEU . 69.1 m -116.49 -29.58 6.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 91' ' ' SER . 8.5 pt-20 48.65 31.91 3.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -132.52 104.79 6.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.578 HG21 HD23 ' A' ' 73' ' ' LEU . 35.4 m -139.97 170.45 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -160.81 175.59 12.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -80.48 11.62 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -66.34 178.03 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.02 12.03 3.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -55.05 102.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.942 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.42 ' CD1' ' CD1' ' A' ' 37' ' ' TYR . 27.1 mt -56.71 147.14 23.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.503 ' CE2' ' HB2' ' A' ' 43' ' ' ALA . 24.4 m-85 -136.01 174.91 10.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.477 ' HG3' ' CG ' ' A' ' 83' ' ' GLU . 14.5 ptm180 -168.05 157.12 9.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.53 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 6.2 t80 -87.01 140.12 32.73 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.696 0.76 . . . . 0.0 110.827 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.53 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.5 Cg_endo -69.75 158.75 55.89 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 179.835 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -143.96 146.1 32.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.8 p -76.57 132.3 39.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.44 109.32 0.13 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.444 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.4 p -88.31 -43.53 11.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.841 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -67.08 -46.77 73.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.453 ' HA3' ' HB3' ' A' ' 10' ' ' ALA . . . -147.02 84.66 0.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.486 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -39.94 -43.15 1.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.89 0.376 . . . . 0.0 110.942 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -89.54 -32.72 17.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.453 ' HB3' ' HA3' ' A' ' 7' ' ' GLY . . . -53.52 -44.37 69.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.107 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.475 HG23 ' N ' ' A' ' 12' ' ' LYS . 8.0 t -64.77 -45.24 87.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.475 ' N ' HG23 ' A' ' 11' ' ' THR . 16.2 ttmt -41.51 -30.52 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.8 tp -64.84 -57.47 8.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.957 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.405 ' CZ2' ' CG ' ' A' ' 79' ' ' ASN . 34.4 t-105 -50.09 -43.77 51.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -66.46 -35.4 80.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.485 ' C ' ' CD ' ' A' ' 16' ' ' GLU . 2.2 tp10 -68.26 -58.69 4.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.6 t -47.4 -55.57 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.2 p -47.13 -46.96 23.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.193 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.1 m -56.52 -60.25 3.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 24' ' ' GLY . 3.9 m -45.89 -55.37 6.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -47.0 -61.39 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -52.03 -58.41 6.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.83 -24.0 61.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.047 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.453 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . -39.19 -87.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.75 126.27 18.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.607 0.718 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 178.47 4.53 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.713 2.275 . . . . 0.0 112.369 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.6 mt -62.2 127.63 32.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -133.51 162.75 31.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -60.86 178.0 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -144.48 161.98 37.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -76.21 -25.16 54.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.402 ' CD ' ' OH ' ' A' ' 37' ' ' TYR . 26.2 mt-30 -62.81 159.31 16.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -52.01 167.12 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -82.11 -47.35 12.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -57.15 138.81 54.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.457 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 7.4 tmtm? 68.0 47.38 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.626 ' CE2' HD21 ' A' ' 100' ' ' LEU . 21.8 m-85 -155.19 161.17 41.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.27 70.11 0.19 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.5 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 53.12 33.29 14.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.79 0.329 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.776 ' HB2' HD22 ' A' ' 100' ' ' LEU . 59.5 m -101.35 143.93 30.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -118.45 135.71 54.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 72.8 p -56.16 131.31 47.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.193 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.788 ' HB2' ' CE2' ' A' ' 101' ' ' PHE . . . -43.8 -36.68 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.085 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -50.1 -48.78 38.55 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.539 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -52.75 -53.64 45.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -49.48 -45.03 46.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.0 t -43.02 -42.79 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -73.99 -59.8 2.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.593 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 0.9 OUTLIER -44.39 -58.89 2.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.67 -52.1 66.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -45.0 -65.75 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -41.29 -42.97 2.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.493 HD13 ' CH2' ' A' ' 49' ' ' TRP . 5.8 tp -65.22 -46.64 79.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 73.3 mt -58.05 -52.92 63.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 5.5 ptm180 -62.56 -38.69 91.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.449 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 4.7 m120 -57.65 -27.48 62.87 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -79.7 162.32 25.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' ASN . 2.4 t -85.25 -57.4 3.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 58' ' ' SER . 48.7 m-80 -34.68 -45.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -91.59 -40.08 11.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.03 178.23 13.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -0.64 7.26 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.253 . . . . 0.0 112.316 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -70.41 -32.98 70.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 64' ' ' VAL . 10.9 p -57.9 127.7 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 66' ' ' ARG . 14.2 t -118.87 167.33 11.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 65' ' ' THR . 20.5 mtm-85 -36.28 -53.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -46.83 -56.26 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -59.59 -40.24 86.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.8 m -57.74 -50.3 73.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.3 mt -58.96 -36.31 61.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -55.92 -44.57 78.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 42.7 tp -72.32 -33.35 67.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.5 tp -55.18 -41.11 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.688 ' HG2' HG22 ' A' ' 94' ' ' VAL . 27.6 mtt180 -55.53 -50.4 70.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -48.32 -57.49 5.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -41.42 -61.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.4 tp -46.24 -40.15 11.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.407 ' HD2' ' C ' ' A' ' 78' ' ' LYS . 0.5 OUTLIER -71.03 -34.17 71.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.405 ' CG ' ' CZ2' ' A' ' 14' ' ' TRP . 34.6 m-80 -83.55 15.14 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.407 ' CG ' ' O ' ' A' ' 80' ' ' HIS . 23.6 t-160 56.26 35.04 25.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.2 t -88.31 -29.13 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 18.2 pt -141.67 128.59 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.418 ' CG ' ' HG3' ' A' ' 102' ' ' ARG . 11.5 pt-20 -112.88 150.97 31.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -73.33 177.75 4.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.452 HD12 HD13 ' A' ' 100' ' ' LEU . 4.7 tt -50.09 -41.64 18.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.412 ' N ' HG23 ' A' ' 85' ' ' ILE . 10.2 mmmt -69.16 -44.86 71.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 107.6 30.51 4.03 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -102.52 118.91 37.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 29.1 p-90 -113.85 168.09 10.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 110.47 31.61 2.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.449 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.5 p -145.61 167.61 22.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.81 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 8.4 mm-40 -118.02 -15.42 9.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -58.26 102.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.688 HG22 ' HG2' ' A' ' 74' ' ' ARG . 28.6 m -139.81 123.42 18.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -124.36 162.59 23.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -77.62 8.32 4.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -56.47 178.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.45 7.09 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -52.18 115.78 1.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.776 HD22 ' HB2' ' A' ' 40' ' ' CYS . 17.2 mt -62.05 144.37 55.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.788 ' CE2' ' HB2' ' A' ' 43' ' ' ALA . 11.5 m-85 -137.94 161.28 37.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.418 ' HG3' ' CG ' ' A' ' 83' ' ' GLU . 10.5 ptm180 -159.13 170.3 22.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.55 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 2.9 t80 -100.6 135.26 20.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.642 0.734 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.55 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.9 Cg_endo -69.73 148.1 64.49 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.692 2.262 . . . . 0.0 112.365 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.085 179.904 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p -101.92 129.47 48.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.373 . . . . 0.0 110.826 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -47.32 -47.7 25.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.21 163.82 10.56 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -135.51 103.49 5.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 110.857 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -119.91 147.52 44.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.56 ' O ' HG22 ' A' ' 11' ' ' THR . . . 37.65 62.84 0.92 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -41.34 -48.88 3.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.89 0.376 . . . . 0.0 110.879 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -88.96 -44.05 10.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' HB3' ' HA3' ' A' ' 7' ' ' GLY . . . -41.18 -55.05 2.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 7' ' ' GLY . 6.3 t -54.43 -47.79 72.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.492 ' N ' HG23 ' A' ' 11' ' ' THR . 31.5 mmtt -41.69 -31.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.546 HD11 ' CE1' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -50.8 -55.94 14.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.894 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.41 ' CZ3' ' CE1' ' A' ' 76' ' ' PHE . 61.3 t-105 -53.9 -52.08 61.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -55.24 -42.24 73.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.0 -58.6 7.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.6 t -53.99 -62.18 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.7 p -45.34 -33.41 2.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.2 m -69.95 -46.43 65.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.073 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.512 ' OG ' HD21 ' A' ' 53' ' ' LEU . 52.0 p -67.72 -35.41 78.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.429 ' HD2' HD13 ' A' ' 50' ' ' LEU . 14.3 t80 -66.44 -53.93 29.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -41.94 -44.05 3.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.26 -61.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.41 ' HA2' ' CZ2' ' A' ' 49' ' ' TRP . . . 40.8 -138.42 1.63 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -115.93 154.42 48.32 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.606 0.717 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 164.44 34.55 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.722 2.281 . . . . 0.0 112.305 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.491 ' H ' HD12 ' A' ' 27' ' ' LEU . 4.0 mp -71.49 132.06 44.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.9 mmp_? -87.23 -58.84 2.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -159.89 160.18 33.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -116.05 152.82 32.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -55.7 -42.37 75.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . 11.6 tp60 -62.27 104.19 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -38.33 -63.67 0.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.407 ' CZ ' ' HD2' ' A' ' 36' ' ' LYS . 17.6 p90 -91.95 164.55 13.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -70.18 106.76 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.422 ' CB ' ' HG2' ' A' ' 32' ' ' GLN . 33.9 tttm -117.36 -37.81 3.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.894 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.428 ' CZ ' ' HB2' ' A' ' 32' ' ' GLN . 1.9 p90 -129.95 157.31 42.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.974 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.01 161.43 5.05 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.457 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -58.06 106.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.778 0.323 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 90.6 m -131.6 168.91 16.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -133.97 126.42 30.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 76.3 p -59.8 158.43 10.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.561 ' O ' HG23 ' A' ' 47' ' ' VAL . . . -61.9 -39.24 91.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.47 -62.84 5.77 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -44.71 -49.53 10.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.57 -42.26 64.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 43' ' ' ALA . 94.8 t -48.62 -43.77 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -69.88 -57.81 4.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.603 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 1.8 t-105 -47.75 -47.36 30.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.429 HD13 ' HD2' ' A' ' 21' ' ' PHE . 26.7 tp -70.65 -54.67 11.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.564 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 7.3 t80 -46.12 -63.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.425 ' N ' ' CD2' ' A' ' 51' ' ' TYR . 1.7 t70 -46.77 -44.63 19.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.512 HD21 ' OG ' ' A' ' 20' ' ' SER . 4.2 tp -60.35 -49.27 78.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.499 HD22 ' CZ ' ' A' ' 60' ' ' PHE . 57.1 mt -59.5 -64.64 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.564 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 4.8 ptt180 -45.86 -32.95 2.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -57.13 -45.46 83.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -69.52 169.3 12.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.7 m -82.55 -42.6 18.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -40.14 -50.06 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.546 ' CE1' HD11 ' A' ' 13' ' ' LEU . 11.6 m-85 -90.81 -54.27 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.56 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 80.68 171.81 44.63 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 3.03 3.04 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.657 2.238 . . . . 0.0 112.34 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -80.06 -40.33 27.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 61' ' ' GLY . 14.7 p -53.23 137.12 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 66' ' ' ARG . 14.2 t -119.57 163.32 17.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 65' ' ' THR . 59.7 mtt180 -36.69 -53.87 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -37.56 -59.8 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -57.94 -43.03 86.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.1 m -53.38 -52.82 58.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 86.9 mt -57.96 -45.72 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.06 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -56.06 -42.1 76.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.3 tp -64.89 -48.07 75.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 76' ' ' PHE . 6.0 tp -43.4 -49.41 7.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -39.07 -42.09 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -66.27 -42.08 88.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 73' ' ' LEU . 3.2 m-85 -53.56 -54.84 31.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.62 HD22 ' CG1' ' A' ' 94' ' ' VAL . 36.6 tp -56.51 -33.2 65.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -75.09 -39.11 60.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -75.58 5.81 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 67.13 32.25 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 83.8 t -81.27 -34.03 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 31.1 pt -140.74 132.32 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.437 ' CD ' ' HA2' ' A' ' 87' ' ' GLY . 13.5 tt0 -109.92 143.7 39.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -63.73 158.8 20.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.469 HG23 ' HD3' ' A' ' 86' ' ' LYS . 2.4 tt -49.28 -43.06 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.469 ' HD3' HG23 ' A' ' 85' ' ' ILE . 11.0 mptt -70.36 -49.45 49.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.437 ' HA2' ' CD ' ' A' ' 83' ' ' GLU . . . 133.24 45.98 0.11 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -107.9 120.43 42.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 110.862 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 5.9 p-90 -141.59 154.34 45.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 108.03 -17.71 34.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.3 m -89.83 166.0 13.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.789 0.328 . . . . 0.0 110.851 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -117.77 17.13 14.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -94.38 102.2 14.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.62 ' CG1' HD22 ' A' ' 77' ' ' LEU . 27.5 m -147.81 135.52 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -152.18 148.71 27.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.442 ' OD1' ' C ' ' A' ' 96' ' ' ASP . 16.5 t0 -52.12 101.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -152.08 177.31 10.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.97 -7.65 37.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -53.64 102.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.04 167.1 5.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -143.03 177.88 8.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -161.37 160.86 30.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.522 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 32.4 t80 -101.36 139.28 20.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.628 0.728 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 54.2 Cg_endo -69.76 -177.78 2.03 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.667 2.245 . . . . 0.0 112.333 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.82 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -122.47 121.78 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 0.0 110.859 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.7 t -113.64 147.07 38.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.21 122.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m -69.99 -50.03 45.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.842 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 t -133.79 114.8 13.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.16 41.42 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -71.74 -48.45 46.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.885 0.374 . . . . 0.0 110.919 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -42.78 -44.16 4.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.13 -45.91 31.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.6 m -53.17 -55.68 22.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.106 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -46.68 -46.06 19.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.8 tp -52.93 -57.16 11.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -51.15 -56.03 14.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -55.02 -42.35 72.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -57.87 -49.11 77.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.2 t -60.71 -60.68 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.735 HG22 ' CE2' ' A' ' 76' ' ' PHE . 77.0 p -44.64 -44.66 9.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.9 m -54.83 -58.66 6.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 m -58.51 -42.4 87.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.417 ' O ' ' C ' ' A' ' 22' ' ' ARG . 5.0 t80 -54.42 -53.95 47.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.454 ' HD2' ' CE2' ' A' ' 103' ' ' PHE . 14.8 ttt180 -37.27 -58.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.94 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -72.74 -63.93 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.045 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.624 ' CA ' ' CZ2' ' A' ' 49' ' ' TRP . . . 34.18 -146.8 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.431 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 22.1 mtp -72.72 155.73 90.59 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.533 0.682 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -175.4 1.15 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.675 2.25 . . . . 0.0 112.345 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.864 HD11 ' C ' ' A' ' 39' ' ' ASN . 4.1 mm? -69.37 159.16 33.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.0 ttm-85 -152.02 131.13 12.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -88.74 125.06 34.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.441 ' CD2' ' HG1' ' A' ' 42' ' ' THR . 61.4 m-70 -91.47 -63.84 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -156.88 101.98 1.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 33' ' ' HIS . 19.7 tp60 -156.98 105.76 2.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 32' ' ' GLN . 15.5 t-80 -34.77 -66.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -59.75 178.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.3 tptp -51.95 162.04 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -52.02 175.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.441 ' CE2' HD11 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -87.48 174.07 8.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.957 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.28 -106.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.864 ' C ' HD11 ' A' ' 27' ' ' LEU . 1.5 t30 -114.44 17.96 17.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.777 0.322 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.549 ' SG ' HD13 ' A' ' 100' ' ' LEU . 19.2 p -86.57 159.41 19.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -154.21 141.01 19.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.441 ' HG1' ' CD2' ' A' ' 30' ' ' HIS . 77.3 p -56.11 151.36 12.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.161 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.505 ' HB2' ' CE2' ' A' ' 101' ' ' PHE . . . -66.71 -44.28 82.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.12 -51.53 11.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -55.19 -44.18 75.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.82 0.343 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.28 -40.31 61.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.432 ' O ' HG21 ' A' ' 69' ' ' THR . 65.8 t -50.07 -50.8 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -69.55 -48.56 59.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.624 ' CZ2' ' CA ' ' A' ' 24' ' ' GLY . 1.2 t-105 -50.59 -57.15 8.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.4 tp -66.36 -45.79 78.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -48.06 -54.13 14.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -57.73 -38.31 75.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 tp -66.01 -42.97 89.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.3 mt -64.38 -65.54 0.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.476 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 26.3 ptt85 -44.54 -46.15 9.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.476 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 19.4 t-20 -45.12 -45.26 11.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.586 ' ND2' HD22 ' A' ' 59' ' ' ASN . 33.0 t-20 -70.23 155.4 40.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.5 p -72.4 -43.69 63.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.586 HD22 ' ND2' ' A' ' 57' ' ' ASN . 70.4 m-80 -37.41 -60.45 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -83.75 -50.71 7.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.623 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 75.71 175.0 37.28 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -0.27 6.67 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.347 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -74.11 -31.47 62.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.623 HG12 ' O ' ' A' ' 61' ' ' GLY . 9.6 p -63.96 141.8 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.182 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.0 t -117.46 163.38 16.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 69' ' ' THR . 24.0 mtm180 -43.47 -56.82 3.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 66' ' ' ARG . 3.7 mp0 -34.28 -53.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -60.49 -41.99 95.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 66' ' ' ARG . 23.3 m -54.46 -53.71 50.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.3 mt -54.42 -44.85 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -57.04 -46.91 82.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.7 tp -64.84 -45.45 86.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.0 tp -42.99 -40.7 3.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -51.03 -52.77 39.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 78' ' ' LYS . 0.3 OUTLIER -45.0 -59.42 2.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.735 ' CE2' HG22 ' A' ' 18' ' ' THR . 84.1 m-85 -37.59 -43.57 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.713 HD22 ' CG1' ' A' ' 94' ' ' VAL . 41.6 tp -70.25 -40.38 74.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' LYS . 5.9 pttp -60.17 -34.75 74.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -86.2 4.3 39.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.712 ' CE1' ' CD2' ' A' ' 89' ' ' TRP . 4.2 t-160 66.81 32.9 6.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.4 t -79.24 -33.88 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.109 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 30.4 pt -132.23 131.34 60.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 84' ' ' ASP . 14.8 tt0 -108.03 151.24 26.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.427 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 0.7 OUTLIER -68.87 165.55 19.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.2 tt -68.22 -21.54 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.444 ' HA ' ' CE ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -90.03 -46.46 8.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.844 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 136.4 47.64 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -116.94 118.19 31.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.339 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.712 ' CD2' ' CE1' ' A' ' 80' ' ' HIS . 26.5 p-90 -139.61 150.58 45.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 96.28 44.4 3.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.549 ' O ' HD23 ' A' ' 77' ' ' LEU . 23.2 m -146.49 162.69 37.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.902 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -116.26 17.75 15.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -105.28 102.1 11.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.713 ' CG1' HD22 ' A' ' 77' ' ' LEU . 26.9 m -147.77 120.66 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.073 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -105.99 176.9 5.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.11 16.3 3.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -53.57 178.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.19 15.61 2.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -66.41 124.91 24.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.549 HD13 ' SG ' ' A' ' 40' ' ' CYS . 83.6 mt -77.59 141.68 39.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CE2' ' HB2' ' A' ' 43' ' ' ALA . 44.5 m-85 -127.89 157.07 41.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -135.64 177.1 8.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.535 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 5.9 t80 -117.63 140.35 27.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.722 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.535 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.8 Cg_endo -69.79 160.57 49.22 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.647 2.231 . . . . 0.0 112.36 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.877 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -127.79 141.78 51.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -110.47 172.06 7.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.41 -174.53 35.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.466 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.5 p -104.67 153.18 21.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.922 0.391 . . . . 0.0 110.812 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.0 m -76.94 -54.58 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.12 45.33 3.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.503 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.458 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 5.4 p90 -55.87 -43.86 77.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.862 0.363 . . . . 0.0 110.893 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.458 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -48.37 -54.76 12.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.32 -54.42 9.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 12' ' ' LYS . 90.0 m -40.91 -49.77 3.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' THR . 2.6 tppp? -37.12 -56.47 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 tt -46.92 -63.38 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.2 t-105 -46.68 -53.39 11.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -47.5 -50.97 22.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -49.46 -52.91 26.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.3 t -53.62 -58.4 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.156 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.7 p -53.9 -41.43 67.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.6 m -62.91 -62.92 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.1 m -53.72 -49.58 67.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -52.67 -47.54 67.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -41.38 -61.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -65.51 -63.85 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.539 ' HA3' ' CE2' ' A' ' 49' ' ' TRP . . . 33.75 -132.26 0.37 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.528 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 20.8 ptt? -81.95 153.07 69.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 172.53 12.51 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.7 2.267 . . . . 0.0 112.349 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.675 HD21 ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -70.44 117.04 11.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.7 ttt85 -114.83 149.93 36.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -90.02 146.83 24.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -113.38 178.38 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.6 ttt85 -80.16 117.26 20.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.487 ' HG2' ' CG ' ' A' ' 37' ' ' TYR . 0.8 OUTLIER -154.87 156.03 35.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.451 ' N ' ' OE1' ' A' ' 32' ' ' GLN . 55.8 t60 -140.85 110.73 6.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.429 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 52.6 t80 53.66 47.9 22.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -135.99 174.41 10.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.44 ' C ' ' CD1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -75.2 102.13 4.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.854 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.706 ' CZ ' HD11 ' A' ' 100' ' ' LEU . 27.2 m-85 -146.28 176.06 10.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 146.07 -107.61 0.42 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.675 ' O ' HD21 ' A' ' 27' ' ' LEU . 21.8 t-20 -81.37 14.39 2.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.478 ' SG ' HD22 ' A' ' 100' ' ' LEU . 23.4 p -88.74 158.93 18.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.417 ' CE1' ' HA ' ' A' ' 102' ' ' ARG . 23.8 p90 -143.41 138.38 29.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.5 p -67.88 155.45 39.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.05 -46.92 63.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.121 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.88 -54.12 3.64 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -55.83 -41.86 74.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.65 -43.35 84.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.4 t -47.04 -46.15 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -67.07 -47.71 70.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.569 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 0.9 OUTLIER -56.37 -60.0 4.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.605 HD23 HG23 ' A' ' 69' ' ' THR . 27.3 tp -59.63 -45.06 93.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.424 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 37.4 t80 -55.62 -49.33 73.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -24.0 63.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.505 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 8.1 tp -82.09 -32.43 30.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.404 HD11 HD23 ' A' ' 72' ' ' LEU . 77.4 mt -80.41 -52.57 7.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.434 ' CG ' ' N ' ' A' ' 56' ' ' ASN . 32.8 ptt85 -50.89 -49.5 59.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.505 ' ND2' ' HA ' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -60.06 -40.64 90.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.496 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 13.3 t30 -56.78 157.94 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 t -85.68 -45.61 11.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -43.77 -60.61 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -79.44 -47.03 16.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.39 174.23 45.67 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -16.43 37.75 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -56.77 -24.35 49.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.0 p -60.99 137.74 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 59.7 p -114.2 169.62 8.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.599 ' O ' HD12 ' A' ' 70' ' ' ILE . 5.8 tpp85 -48.36 -57.16 6.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.597 ' HA ' HD13 ' A' ' 70' ' ' ILE . 3.4 tt0 -42.14 -55.74 3.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -43.84 -44.55 6.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.605 HG23 HD23 ' A' ' 50' ' ' LEU . 87.1 m -54.86 -64.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.076 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.778 ' H ' HD12 ' A' ' 70' ' ' ILE . 5.4 mp -40.84 -43.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -57.28 -57.48 12.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.404 HD23 HD11 ' A' ' 54' ' ' LEU . 13.3 tp -58.76 -45.54 89.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.447 HD23 ' CG2' ' A' ' 94' ' ' VAL . 10.3 tp -44.46 -40.54 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -51.45 -53.82 33.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -43.24 -56.6 3.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -39.32 -65.6 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.48 HD21 ' HB2' ' A' ' 91' ' ' SER . 58.4 tp -55.65 -39.9 71.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -34.4 74.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -92.64 17.69 9.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.54 ' HB2' ' CE3' ' A' ' 89' ' ' TRP . 20.9 t-160 57.42 32.81 22.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 83.9 t -80.29 -34.81 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.121 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 16.4 pt -137.87 127.37 34.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.436 ' CD ' ' HA2' ' A' ' 87' ' ' GLY . 22.6 pt-20 -103.83 156.09 18.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.03 169.86 16.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.423 HD12 ' SG ' ' A' ' 40' ' ' CYS . 5.3 tt -43.14 -37.16 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -70.4 -49.63 46.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.436 ' HA2' ' CD ' ' A' ' 83' ' ' GLU . . . 120.72 32.42 1.11 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -107.04 144.34 33.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.54 ' CE3' ' HB2' ' A' ' 80' ' ' HIS . 66.0 p-90 -135.39 164.0 28.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 108.18 50.0 0.79 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.48 ' HB2' HD21 ' A' ' 77' ' ' LEU . 40.1 m -152.25 148.12 27.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.817 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -113.62 16.68 18.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -103.55 102.67 12.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 94' ' ' VAL . 34.8 m -153.95 116.79 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -109.95 177.65 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -82.56 14.88 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -77.31 178.04 7.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.42 106.56 3.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -152.98 112.72 3.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.706 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 99.4 mt -62.76 147.22 50.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -147.53 171.41 15.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.417 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 6.8 ptt180 -161.28 167.56 25.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.54 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 7.6 t80 -101.42 139.66 20.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.679 0.752 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.54 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.9 Cg_endo -69.76 -172.39 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.693 2.262 . . . . 0.0 112.323 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.878 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.0 t -84.9 -46.33 11.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.894 0.378 . . . . 0.0 110.861 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.8 p -71.0 137.38 49.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.01 98.09 0.21 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.527 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -53.32 -48.01 68.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.869 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.9 t -138.43 116.05 11.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.96 42.55 4.06 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.456 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 9' ' ' ARG . 19.1 p90 -66.67 -55.33 15.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.919 0.39 . . . . 0.0 110.946 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 8' ' ' TYR . 34.1 ttt-85 -34.95 -53.01 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.42 -49.02 59.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.097 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.2 m -47.3 -42.6 21.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -50.06 -49.67 50.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.693 HD12 ' HE1' ' A' ' 60' ' ' PHE . 4.1 mm? -69.26 -58.87 3.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.778 ' O ' HG23 ' A' ' 18' ' ' THR . 43.4 t-105 -41.34 -46.99 3.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -63.34 -36.88 85.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 13' ' ' LEU . 44.0 mt-10 -71.94 -58.3 3.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 13' ' ' LEU . 2.7 p -54.96 -39.7 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.159 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.778 HG23 ' O ' ' A' ' 14' ' ' TRP . 41.2 p -63.23 -46.06 88.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.3 m -59.92 -50.57 73.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.58 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.8 m -61.43 -59.9 4.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.456 ' CD2' HD13 ' A' ' 50' ' ' LEU . 19.9 t80 -49.91 -48.58 51.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.415 ' C ' ' HD2' ' A' ' 22' ' ' ARG . 2.9 tmm_? -44.99 -54.95 5.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.479 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -72.06 -64.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . 31.51 -109.66 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -126.73 158.05 69.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.61 0.719 . . . . 0.0 110.84 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.774 ' O ' HD22 ' A' ' 27' ' ' LEU . 53.5 Cg_endo -69.8 -51.21 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.652 2.235 . . . . 0.0 112.334 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.815 HD21 ' HA ' ' A' ' 39' ' ' ASN . 4.1 mm? -133.57 175.46 9.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.41 ' NH2' ' HB2' ' A' ' 49' ' ' TRP . 6.5 mmt180 -126.29 174.88 8.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.64 110.2 21.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.41 ' NE2' ' HA ' ' A' ' 41' ' ' PHE . 2.1 p80 -164.47 160.51 20.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -64.4 160.43 19.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 61.2 41.29 13.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.565 ' H ' ' CD2' ' A' ' 33' ' ' HIS . 3.6 p80 -52.66 -60.57 3.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -116.73 17.94 15.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.7 mmtt -70.13 -65.81 0.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -109.58 -36.99 5.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -120.92 177.91 4.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.772 ' O ' HD11 ' A' ' 27' ' ' LEU . . . -140.09 -58.83 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.464 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.815 ' HA ' HD21 ' A' ' 27' ' ' LEU . 24.1 m120 -89.17 6.16 41.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.888 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.642 ' SG ' HD12 ' A' ' 85' ' ' ILE . 1.8 t -88.69 160.22 17.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.41 ' HA ' ' NE2' ' A' ' 30' ' ' HIS . 4.9 p90 -153.63 158.82 41.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.4 p -80.57 151.19 29.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.125 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.457 ' O ' ' HB3' ' A' ' 46' ' ' ALA . . . -63.32 -53.9 45.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 43' ' ' ALA . . . -35.72 -65.83 0.44 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.12 -47.1 4.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.361 . . . . 0.0 110.927 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 43' ' ' ALA . . . -50.63 -48.16 58.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.067 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.0 t -40.99 -49.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.12 -50.39 68.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.41 ' HB2' ' NH2' ' A' ' 28' ' ' ARG . 3.2 t-105 -52.67 -53.96 40.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.596 HD23 HG23 ' A' ' 69' ' ' THR . 14.3 tp -65.77 -59.09 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.442 ' CZ ' ' HD2' ' A' ' 55' ' ' ARG . 16.5 t80 -39.7 -61.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -48.55 -48.25 38.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.58 HD21 ' HB2' ' A' ' 20' ' ' SER . 11.0 tp -59.36 -43.98 92.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.472 HD21 HG21 ' A' ' 17' ' ' VAL . 41.1 mt -61.51 -60.36 3.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.454 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 13.3 ptm180 -52.03 -44.14 64.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.454 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 9.1 t-20 -45.39 -42.08 9.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -74.72 148.96 40.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 59' ' ' ASN . 44.4 m -66.32 -50.17 64.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 58' ' ' SER . 10.1 t-20 -33.84 -60.83 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.693 ' HE1' HD12 ' A' ' 13' ' ' LEU . 12.5 m-85 -79.18 -49.08 13.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.518 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 73.95 175.93 33.22 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.506 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -16.09 37.37 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -55.7 -38.65 69.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 61' ' ' GLY . 10.6 p -56.87 132.63 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.3 t -109.38 162.36 14.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.463 ' O ' HD12 ' A' ' 70' ' ' ILE . 11.7 ttt-85 -41.43 -52.42 3.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.435 ' HA ' HD13 ' A' ' 70' ' ' ILE . 8.1 tt0 -40.29 -62.69 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -41.0 -40.73 1.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.596 HG23 HD23 ' A' ' 50' ' ' LEU . 21.5 m -55.34 -65.15 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.721 ' H ' HD12 ' A' ' 70' ' ' ILE . 5.2 mp -39.01 -42.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -66.77 -45.82 77.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.7 tp -63.87 -54.15 39.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.4 tp -39.68 -45.14 1.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -43.01 -51.86 5.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -46.42 -56.29 6.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.677 ' HD2' HG11 ' A' ' 81' ' ' VAL . 63.7 m-85 -40.28 -60.75 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.416 HD11 ' HA ' ' A' ' 89' ' ' TRP . 12.5 tp -55.8 -36.05 66.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -63.36 -47.22 83.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -76.19 7.76 3.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 67.87 32.04 5.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.677 HG11 ' HD2' ' A' ' 76' ' ' PHE . 93.9 t -77.59 -29.32 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 23.7 pt -148.45 128.67 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -101.05 170.69 8.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -78.31 154.28 31.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.805 ' CD1' HD13 ' A' ' 100' ' ' LEU . 12.6 tt -38.72 -34.76 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -87.68 -42.56 12.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 130.26 50.77 0.11 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.44 ' NH1' ' HB3' ' A' ' 88' ' ' ARG . 16.3 mtp-105 -110.94 138.18 47.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.759 0.314 . . . . 0.0 110.891 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.416 ' HA ' HD11 ' A' ' 77' ' ' LEU . 11.3 p-90 -144.03 170.48 15.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 73.04 41.48 47.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.515 ' O ' ' CG ' ' A' ' 92' ' ' GLU . 52.9 m -117.96 -27.55 6.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.84 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 91' ' ' SER . 8.4 pt-20 48.82 32.05 3.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -130.17 102.59 6.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.1 m -145.73 124.49 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.02 175.79 5.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -81.99 12.47 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -82.42 178.11 8.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.36 102.76 1.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -149.16 107.56 3.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.805 HD13 ' CD1' ' A' ' 85' ' ' ILE . 77.2 mt -60.64 153.68 23.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 41' ' ' PHE . 29.2 m-85 -158.03 157.46 32.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.402 ' HD3' ' O ' ' A' ' 85' ' ' ILE . 6.7 ptt180 -148.98 149.16 30.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.562 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 2.6 t80 -84.02 134.21 44.24 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.652 0.739 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.562 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.8 Cg_endo -69.78 178.86 4.16 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.706 2.271 . . . . 0.0 112.325 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.897 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 t 60.16 42.24 15.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 0.0 110.857 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 m -109.1 111.65 23.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.67 68.37 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.0 m -147.05 161.13 41.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.866 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 t -150.81 153.38 35.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.79 43.53 14.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.443 ' O ' ' C ' ' A' ' 9' ' ' ARG . 6.4 p90 -72.23 -52.82 14.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.87 0.366 . . . . 0.0 110.93 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 8' ' ' TYR . 9.5 tpp85 -34.41 -54.35 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.74 -50.72 65.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.1 m -49.24 -42.78 41.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -50.15 -61.81 1.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.1 mt -43.7 -63.97 0.74 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.519 ' O ' HG23 ' A' ' 18' ' ' THR . 62.3 t-105 -45.95 -44.63 14.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -64.76 -30.2 71.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -75.75 -61.91 1.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 18' ' ' THR . 6.2 p -52.19 -42.21 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 14' ' ' TRP . 37.5 p -63.44 -46.29 86.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.5 m -63.45 -46.09 87.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.411 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 6.0 m -62.66 -45.28 93.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' ARG . 8.0 t80 -61.44 -59.8 4.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -35.05 -60.61 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -68.82 -33.91 74.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.086 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.576 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . -34.44 -76.57 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.539 ' HG2' ' CD2' ' A' ' 41' ' ' PHE . 37.2 tpp -52.06 107.35 0.81 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 25' ' ' MET . 53.8 Cg_endo -69.75 6.85 1.15 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.732 2.288 . . . . 0.0 112.348 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.451 HD13 ' HB3' ' A' ' 39' ' ' ASN . 30.8 mt 67.99 47.99 1.02 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -52.01 158.43 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -95.56 164.57 12.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -131.17 172.93 11.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.6 ptt-85 -85.55 112.13 20.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -156.25 125.29 6.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' GLN . 25.6 t60 -37.94 -57.39 1.04 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -120.21 148.5 43.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.95 102.3 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -116.75 -37.44 3.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.945 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.519 ' CD1' ' N ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -74.44 -61.18 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.69 -95.56 2.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.519 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.451 ' HB3' HD13 ' A' ' 27' ' ' LEU . 3.1 m120 -115.65 17.96 16.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 83.3 m -79.98 167.77 20.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.539 ' CD2' ' HG2' ' A' ' 25' ' ' MET . 11.1 p90 -153.15 158.0 41.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.1 p -76.3 145.8 39.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 44' ' ' GLY . . . -59.95 -57.9 10.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.084 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 43' ' ' ALA . . . -34.03 -64.83 0.35 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -44.83 -45.96 10.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.88 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 43' ' ' ALA . . . -54.57 -37.77 65.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.061 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.404 HG21 ' CB ' ' A' ' 96' ' ' ASP . 94.7 t -52.96 -48.89 51.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -65.7 -49.43 68.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.576 ' CZ2' ' HA3' ' A' ' 24' ' ' GLY . 1.1 t-105 -56.76 -62.82 1.47 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.412 HD23 HG23 ' A' ' 69' ' ' THR . 28.1 tp -51.24 -42.07 60.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -62.12 -48.55 79.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.55 -38.58 69.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.412 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 6.2 tp -68.6 -43.88 75.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.8 mt -60.77 -54.65 42.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -57.8 -41.42 82.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -57.05 -41.33 78.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -56.95 174.16 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 m -97.73 -48.34 5.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -46.66 -56.91 5.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -75.94 -39.91 55.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.502 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 67.63 175.06 8.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -7.15 20.31 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.651 2.234 . . . . 0.0 112.344 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -64.84 -36.53 84.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.502 HG12 ' O ' ' A' ' 61' ' ' GLY . 14.7 p -55.97 146.0 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 66' ' ' ARG . 15.2 t -130.85 166.2 21.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 66' ' ' ARG . 13.9 ttp-105 -37.06 -47.96 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -39.0 -59.57 0.96 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -58.25 -40.45 81.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.412 HG23 HD23 ' A' ' 50' ' ' LEU . 49.1 m -56.76 -57.51 12.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 89.6 mt -55.39 -46.52 78.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.123 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -56.25 -42.72 77.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.448 ' HG ' ' CE2' ' A' ' 76' ' ' PHE . 49.9 tp -66.31 -46.5 76.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.1 tp -44.82 -41.76 7.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.471 ' HG3' ' CG2' ' A' ' 94' ' ' VAL . 47.7 mtt180 -59.3 -43.0 92.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -60.3 -58.38 8.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.452 ' CD1' ' CH2' ' A' ' 14' ' ' TRP . 14.4 m-85 -38.46 -59.77 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 82' ' ' ILE . 33.5 tp -49.06 -42.39 38.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.419 ' HD2' ' C ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -63.17 -41.0 99.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.819 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.606 ' HB2' HG23 ' A' ' 81' ' ' VAL . 3.9 m120 -76.75 7.58 4.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.636 ' CE1' ' CZ3' ' A' ' 89' ' ' TRP . 3.2 t-160 66.27 32.29 7.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.606 HG23 ' HB2' ' A' ' 79' ' ' ASN . 96.3 t -82.67 -31.16 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.586 ' O ' HD12 ' A' ' 77' ' ' LEU . 10.9 pt -138.25 124.2 25.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -101.7 138.74 38.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.21 168.39 10.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.6 tp -59.26 -32.53 48.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -94.77 -39.71 10.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 121.85 52.1 0.23 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -94.03 17.42 12.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.751 0.31 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.636 ' CZ3' ' CE1' ' A' ' 80' ' ' HIS . 36.5 p-90 -57.76 148.02 26.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 113.04 -18.23 21.68 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.3 m -106.26 177.14 4.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 0.0 110.856 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -116.88 15.97 15.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -83.66 102.02 11.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.471 ' CG2' ' HG3' ' A' ' 74' ' ' ARG . 24.2 m -151.85 137.03 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.156 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -129.35 165.42 21.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.404 ' CB ' HG21 ' A' ' 47' ' ' VAL . 2.5 p30 -81.61 15.8 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.475 ' ND2' ' HG3' ' A' ' 99' ' ' GLN . 1.6 p30 -82.74 178.07 8.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.6 104.62 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.475 ' HG3' ' ND2' ' A' ' 97' ' ' ASN . 29.2 mt-30 -150.0 114.95 5.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 66.0 mt -69.24 136.13 51.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -130.04 174.21 9.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -154.58 174.87 14.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.48 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 2.7 t80 -103.35 136.7 19.18 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.659 0.742 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.48 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.9 Cg_endo -69.74 171.9 13.59 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.83 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.6 p -68.26 128.76 37.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 0.0 110.831 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.3 m -93.11 -53.24 4.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.53 132.76 0.61 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -106.34 168.23 9.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.364 . . . . 0.0 110.85 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.6 p -132.26 127.22 35.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.827 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 8' ' ' TYR . . . 82.57 46.59 6.34 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.468 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 7' ' ' GLY . 4.2 p90 -34.93 -52.43 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.915 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.3 mtp85 -48.9 -52.82 22.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.87 -39.51 94.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.7 m -59.94 -52.68 64.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -57.56 -47.49 81.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 17' ' ' VAL . 3.6 tt -58.01 -60.83 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.412 ' CH2' ' CD1' ' A' ' 76' ' ' PHE . 49.9 t-105 -54.84 -57.65 10.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -50.88 -34.42 28.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.4 ' O ' HG22 ' A' ' 19' ' ' THR . 21.0 mt-10 -67.19 -47.39 71.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 13' ' ' LEU . 39.8 t -64.36 -34.69 70.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.404 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 41.5 p -76.75 -47.31 22.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 16' ' ' GLU . 0.7 OUTLIER -59.85 -35.98 75.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.157 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -79.36 -59.44 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' ' 21' ' ' PHE . 8.4 t80 -54.26 -44.88 72.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.409 ' C ' ' HD2' ' A' ' 22' ' ' ARG . 1.9 tmm_? -52.85 -48.87 66.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.12 -64.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.59 ' HA2' ' CZ2' ' A' ' 49' ' ' TRP . . . 60.87 129.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.46 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.501 ' N ' ' HD2' ' A' ' 26' ' ' PRO . 5.3 mtp -63.7 -59.97 10.31 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.598 0.713 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 25' ' ' MET . 53.8 Cg_endo -69.74 135.09 29.61 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.676 2.25 . . . . 0.0 112.329 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.461 ' HG ' ' N ' ' A' ' 28' ' ' ARG . 6.5 tp -159.88 153.98 23.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.461 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 54.6 mtp180 62.22 40.04 12.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -76.1 -43.09 44.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -72.87 176.46 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -120.11 145.24 47.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.562 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 2.4 pm0 -131.83 177.33 7.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -74.56 -67.28 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.52 ' O ' ' CG ' ' A' ' 35' ' ' LYS . 73.8 t80 -152.08 103.21 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.52 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 11.2 ptpt 50.95 32.04 6.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.596 ' C ' ' CD1' ' A' ' 37' ' ' TYR . 37.7 mttm -102.72 119.98 39.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 36' ' ' LYS . 14.2 p90 46.61 32.83 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.29 -55.06 29.86 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.485 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.412 ' ND2' HD21 ' A' ' 27' ' ' LEU . 7.4 t-20 -83.3 13.61 4.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.794 0.331 . . . . 0.0 110.853 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 97.7 m -96.41 160.73 14.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -138.43 125.99 22.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.7 p -62.67 164.08 8.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.82 ' O ' HG23 ' A' ' 47' ' ' VAL . . . -65.01 -47.11 78.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.084 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.91 -61.48 7.3 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.471 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -51.41 -49.78 60.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.876 0.37 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.27 -48.39 62.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 43' ' ' ALA . 97.3 t -39.91 -44.95 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -71.35 -46.13 61.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.59 ' CZ2' ' HA2' ' A' ' 24' ' ' GLY . 2.1 t-105 -54.69 -46.05 74.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.482 HD21 HD23 ' A' ' 72' ' ' LEU . 60.8 tp -72.13 -53.15 13.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.493 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 28.6 t80 -47.09 -58.26 4.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.445 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 1.8 t0 -48.07 -42.76 29.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.895 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 tp -66.53 -45.44 79.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 65.6 mt -60.27 -56.97 15.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.493 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 25.5 ptt180 -54.24 -38.38 65.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.465 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 2.8 t-20 -55.97 -38.98 71.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -69.35 170.6 10.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.3 t -86.78 -49.4 7.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.806 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -40.68 -54.22 2.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -84.32 -40.84 17.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.649 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 61.99 173.92 1.72 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.533 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 3.02 3.0 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.704 2.269 . . . . 0.0 112.352 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -78.76 -35.67 44.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.649 HG12 ' O ' ' A' ' 61' ' ' GLY . 7.3 p -55.75 138.73 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.2 p -107.12 171.56 7.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -52.99 -44.28 67.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -46.73 -55.36 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -51.91 -43.4 63.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 70.6 m -53.64 -52.87 58.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 74.8 mt -54.58 -44.5 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -52.08 -48.87 64.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.482 HD23 HD21 ' A' ' 50' ' ' LEU . 31.6 tp -60.18 -48.6 81.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.2 tp -42.79 -43.58 4.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.647 ' HG2' HG22 ' A' ' 94' ' ' VAL . 51.3 mtt180 -54.73 -54.69 38.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -49.41 -60.06 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.437 ' CE2' ' HG ' ' A' ' 72' ' ' LEU . 22.0 m-85 -41.11 -61.86 0.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.715 HD12 ' O ' ' A' ' 82' ' ' ILE . 14.8 tp -51.47 -39.77 58.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -66.1 -38.99 89.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -80.91 13.07 2.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 80' ' ' HIS . 21.1 t-160 63.0 32.1 15.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.411 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 78.2 t -83.96 -30.34 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.715 ' O ' HD12 ' A' ' 77' ' ' LEU . 22.1 pt -137.92 127.13 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -103.87 138.75 40.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -75.73 154.37 36.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 6.2 tt -54.98 -23.66 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -95.1 -42.01 8.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 117.81 52.26 0.32 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -105.0 17.69 23.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.33 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.423 ' HA ' HD11 ' A' ' 77' ' ' LEU . 19.6 p-90 -58.26 149.79 23.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 115.32 -38.81 2.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.483 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.7 m -82.05 171.74 14.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.841 0.353 . . . . 0.0 110.844 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -116.59 17.14 15.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -96.3 106.02 18.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.647 HG22 ' HG2' ' A' ' 74' ' ' ARG . 34.5 m -141.05 123.18 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -107.57 177.18 4.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.93 13.98 2.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.469 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 42.1 m-20 -57.47 172.77 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -86.96 17.3 4.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.445 ' O ' ' CD1' ' A' ' 101' ' ' PHE . 55.5 mt-30 -58.41 108.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.581 HD13 ' CB ' ' A' ' 37' ' ' TYR . 41.6 mt -56.3 146.75 22.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.585 ' HE1' ' HB2' ' A' ' 43' ' ' ALA . 46.8 m-85 -131.14 164.25 25.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -157.8 132.78 8.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.555 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 3.0 t80 -73.94 135.67 77.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.6 0.714 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.555 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.7 Cg_endo -69.78 171.97 13.5 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.896 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 t -81.37 126.04 31.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 110.87 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.7 p -97.8 128.03 44.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.23 80.07 0.33 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.4 p -74.7 121.17 21.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 t -62.67 -52.26 64.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.23 68.67 1.71 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.497 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.425 ' O ' ' C ' ' A' ' 9' ' ' ARG . 8.2 t80 -66.35 -58.44 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.925 0.393 . . . . 0.0 110.932 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 8' ' ' TYR . 6.6 ptm180 -36.37 -46.21 0.53 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.92 -43.45 62.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.7 m -55.95 -43.97 77.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.4 tptt -55.9 -60.75 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.3 tp -47.23 -49.37 23.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.46 ' CH2' ' CD1' ' A' ' 76' ' ' PHE . 30.9 t-105 -57.91 -46.19 85.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -59.06 -48.03 83.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -55.82 -49.86 72.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 78.2 t -61.5 -67.76 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.9 p -38.16 -45.85 0.99 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.3 m -61.0 -53.55 55.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.7 m -56.97 -58.85 6.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.412 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 8.3 t80 -46.8 -52.4 14.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.571 ' HD2' ' CE2' ' A' ' 103' ' ' PHE . 9.2 ttt-85 -43.43 -64.16 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -71.99 -63.82 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.587 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . 34.24 -147.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -56.31 151.84 26.08 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.546 0.688 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 163.47 38.15 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.515 HD22 ' OD1' ' A' ' 39' ' ' ASN . 26.7 mt -77.13 147.96 36.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -122.72 160.09 26.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -86.53 116.31 24.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -77.57 167.55 21.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -59.58 -53.06 62.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -54.29 109.1 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -99.47 -30.55 12.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -53.35 175.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -71.51 0.9 7.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.47 ' HD2' ' CE2' ' A' ' 37' ' ' TYR . 8.8 ttmm -34.66 -63.69 0.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.529 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 18.1 p90 -155.42 163.94 39.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.15 -175.42 47.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.468 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.515 ' OD1' HD22 ' A' ' 27' ' ' LEU . 9.1 t-20 -52.22 103.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 110.906 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.529 ' SG ' ' CD1' ' A' ' 37' ' ' TYR . 6.4 p -137.27 142.71 41.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 101' ' ' PHE . 9.5 p90 -108.79 155.36 20.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.4 p -85.45 166.99 15.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.122 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.443 ' HB2' ' HE2' ' A' ' 101' ' ' PHE . . . -65.65 -59.4 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.35 -58.58 1.65 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.22 -54.45 20.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.36 . . . . 0.0 110.913 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -47.87 -46.77 31.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.07 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.1 t -45.01 -41.49 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -68.86 -60.5 2.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.589 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 0.8 OUTLIER -41.11 -59.22 1.55 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.571 HD21 HD23 ' A' ' 72' ' ' LEU . 60.9 tp -62.81 -50.78 69.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.517 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 38.9 t80 -43.66 -46.71 7.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -63.56 -46.65 84.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.514 HD13 ' CH2' ' A' ' 49' ' ' TRP . 8.1 tp -55.97 -35.83 67.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 46.4 mt -71.94 -63.69 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.517 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 41.9 ptt85 -51.89 -43.3 63.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.65 -43.26 17.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -73.21 172.3 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.2 t -86.46 -46.8 9.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -37.47 -54.83 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -85.14 -55.83 3.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.707 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 78.57 172.79 41.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 2.92 3.08 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -80.12 -27.34 39.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 61' ' ' GLY . 6.4 p -61.72 137.51 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.105 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.4 p -111.16 166.23 11.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.144 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -50.34 -48.18 55.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -43.33 -54.12 4.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -60.82 -37.24 81.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 98.5 m -59.98 -54.16 49.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 53.6 mt -55.85 -37.97 49.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -54.29 -46.06 72.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.571 HD23 HD21 ' A' ' 50' ' ' LEU . 58.3 tp -62.58 -50.17 72.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 tp -41.03 -41.36 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -52.82 -47.67 67.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 78' ' ' LYS . 20.2 mttp -57.1 -60.98 2.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.46 ' CD1' ' CH2' ' A' ' 14' ' ' TRP . 20.2 m-85 -38.79 -58.48 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.499 HD22 ' CG1' ' A' ' 94' ' ' VAL . 67.7 tp -51.52 -36.41 44.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 75' ' ' LYS . 16.6 mtmt -72.17 -37.88 69.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -79.07 7.94 6.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.679 ' CE1' ' CE2' ' A' ' 89' ' ' TRP . 4.8 t-160 64.25 32.19 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.81 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.499 ' O ' ' CE1' ' A' ' 103' ' ' PHE . 92.8 t -82.22 -34.38 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.5 pt -133.49 135.02 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -115.33 155.13 27.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 88' ' ' ARG . 2.9 p-10 -90.46 167.57 12.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.755 HG23 ' HD3' ' A' ' 86' ' ' LYS . 2.4 tt -52.93 -37.23 25.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.755 ' HD3' HG23 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -70.5 -50.11 41.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 121.29 29.96 1.38 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.405 ' O ' ' OD1' ' A' ' 84' ' ' ASP . 55.2 mtm180 -95.07 102.09 13.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.341 . . . . 0.0 110.871 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.679 ' CE2' ' CE1' ' A' ' 80' ' ' HIS . 8.9 p-90 -120.79 118.59 30.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 137.14 35.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.14 166.75 23.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 110.839 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.01 14.6 14.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -96.91 102.35 14.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.499 ' CG1' HD22 ' A' ' 77' ' ' LEU . 15.6 m -141.92 112.29 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -99.29 163.38 12.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 30.9 p30 -80.79 -0.51 39.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -65.33 175.07 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.489 ' CG ' ' O ' ' A' ' 98' ' ' ASN . 0.4 OUTLIER -66.09 107.74 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -151.15 108.95 3.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.406 HD13 ' SG ' ' A' ' 40' ' ' CYS . 66.9 mt -56.13 159.71 3.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.443 ' HE2' ' HB2' ' A' ' 43' ' ' ALA . 17.8 m-85 -152.35 172.59 16.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -165.22 163.12 20.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.571 ' CE2' ' HD2' ' A' ' 22' ' ' ARG . 4.6 t80 -107.68 140.58 21.7 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.539 ' HD2' ' CD2' ' A' ' 103' ' ' PHE . 53.3 Cg_endo -69.78 149.6 67.0 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.624 2.216 . . . . 0.0 112.361 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.879 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p -88.41 168.68 12.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.2 p -139.46 170.42 15.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.15 94.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -59.94 -55.85 29.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.896 0.379 . . . . 0.0 110.908 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.8 p -93.41 176.67 6.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.83 46.87 13.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.517 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -62.29 -44.45 96.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.357 . . . . 0.0 110.879 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -45.97 -53.86 9.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 11' ' ' THR . . . -65.53 -49.82 67.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.062 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.457 HG22 ' ND2' ' A' ' 15' ' ' ASN . 73.4 m -37.45 -50.21 1.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -43.92 -47.47 8.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.6 tp -56.21 -59.45 4.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.696 ' O ' HG23 ' A' ' 18' ' ' THR . 9.7 t-105 -52.91 -46.12 67.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.457 ' ND2' HG22 ' A' ' 11' ' ' THR . 31.1 m-20 -61.3 -39.2 89.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -65.58 -55.15 19.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 18' ' ' THR . 7.4 p -61.92 -42.42 94.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 14' ' ' TRP . 58.9 p -63.14 -46.52 86.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.3 m -59.53 -50.59 73.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 m -64.99 -58.27 6.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.525 ' CD1' HD13 ' A' ' 50' ' ' LEU . 37.8 t80 -44.27 -48.82 9.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.6 -64.92 0.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -68.78 -63.95 0.96 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.527 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . 33.74 -129.77 0.43 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.503 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -77.33 152.47 81.52 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.585 0.707 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 142.55 48.4 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.696 2.264 . . . . 0.0 112.367 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.489 HD11 ' O ' ' A' ' 39' ' ' ASN . 1.4 tt -67.04 128.0 34.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.6 mtt-85 -122.2 177.86 5.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.68 156.86 25.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -110.0 172.95 6.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -82.08 110.88 17.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.543 ' H ' ' NE2' ' A' ' 32' ' ' GLN . 1.5 pm0 -137.49 131.15 31.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -61.11 -67.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -98.03 139.7 33.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -52.17 102.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -117.99 -37.97 3.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.427 ' CZ ' ' HB3' ' A' ' 32' ' ' GLN . 0.5 OUTLIER -135.62 151.45 50.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.75 -93.79 1.78 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.489 ' O ' HD11 ' A' ' 27' ' ' LEU . 6.3 m120 -83.6 17.71 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.7 m -86.15 145.66 26.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.426 ' C ' HD23 ' A' ' 100' ' ' LEU . 9.9 p90 -134.8 136.69 42.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.459 ' N ' HD23 ' A' ' 100' ' ' LEU . 22.1 p -57.29 145.49 31.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.56 77.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.8 -49.47 3.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -59.57 -43.03 93.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.34 . . . . 0.0 110.823 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.85 98.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.5 t -47.82 -42.1 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -68.25 -56.35 8.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.646 ' CH2' HD13 ' A' ' 53' ' ' LEU . 1.3 t-105 -44.09 -54.34 5.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.525 HD13 ' CD1' ' A' ' 21' ' ' PHE . 36.7 tp -66.36 -60.94 2.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 50' ' ' LEU . 28.2 t80 -36.45 -47.68 0.63 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -58.15 -48.17 81.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.646 HD13 ' CH2' ' A' ' 49' ' ' TRP . 3.5 tp -62.94 -42.55 99.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 70.7 mt -61.24 -57.66 11.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 26.2 ptt180 -53.27 -40.01 64.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.441 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -58.25 -52.21 66.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -59.14 162.95 4.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 t -83.15 -42.18 17.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -39.0 -64.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -80.07 -46.3 16.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.61 170.1 24.09 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -1.87 9.23 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.682 2.254 . . . . 0.0 112.312 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -85.94 17.96 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.435 HG23 ' HB2' ' A' ' 68' ' ' GLN . 8.2 p -92.07 143.12 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 66' ' ' ARG . 13.9 t -117.33 150.01 39.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 65' ' ' THR . 32.1 mtm180 -34.88 -43.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -51.78 -56.27 14.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.435 ' HB2' HG23 ' A' ' 64' ' ' VAL . 18.2 mm100 -53.35 -45.3 69.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.8 m -56.69 -54.34 47.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 58.8 mt -53.98 -41.15 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -57.61 -45.31 85.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.492 HD23 HD21 ' A' ' 50' ' ' LEU . 46.9 tp -64.26 -49.65 71.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.6 tp -47.37 -42.8 22.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.75 ' HG2' HG22 ' A' ' 94' ' ' VAL . 67.5 mtt85 -49.87 -50.87 44.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -52.24 -58.02 7.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.544 ' CE1' HG22 ' A' ' 18' ' ' THR . 20.7 m-85 -43.39 -55.69 3.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.712 HD12 ' O ' ' A' ' 82' ' ' ILE . 4.5 tp -56.38 -35.68 67.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.463 ' HD3' ' CG ' ' A' ' 92' ' ' GLU . 34.3 ttpt -72.1 -36.8 69.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -81.91 17.26 1.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.45 ' CG ' ' O ' ' A' ' 80' ' ' HIS . 23.6 t-160 61.17 32.1 19.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.448 HG12 HG23 ' A' ' 82' ' ' ILE . 52.9 t -84.25 -33.18 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.712 ' O ' HD12 ' A' ' 77' ' ' LEU . 8.3 pt -140.88 117.44 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -90.25 149.52 22.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -86.07 162.1 18.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.43 ' HA ' ' HD3' ' A' ' 102' ' ' ARG . 3.3 tt -49.03 -30.88 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -103.92 -35.89 7.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 117.99 68.72 0.36 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.8 mtm105 -108.5 17.69 21.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.779 0.323 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 23.4 p-90 -57.97 104.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 120.18 34.43 0.96 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.499 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.6 m -116.61 -16.63 10.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 110.836 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.463 ' CG ' ' HD3' ' A' ' 78' ' ' LYS . 35.7 mp0 53.45 41.86 32.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -145.73 102.43 3.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.75 HG22 ' HG2' ' A' ' 74' ' ' ARG . 28.7 m -138.09 146.49 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.434 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 16.7 m-20 -143.24 177.99 8.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -78.59 10.58 3.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.434 ' ND2' ' HB2' ' A' ' 95' ' ' ASP . 1.9 p30 -56.81 178.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.62 16.55 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -61.94 117.4 5.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.459 HD23 ' N ' ' A' ' 42' ' ' THR . 12.0 mt -79.07 138.76 38.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.483 ' HE2' HD13 ' A' ' 77' ' ' LEU . 44.2 m-85 -124.3 168.25 13.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.43 ' HD3' ' HA ' ' A' ' 85' ' ' ILE . 4.1 ptt85 -152.45 169.96 21.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.518 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 9.3 t80 -111.53 139.96 22.62 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.664 0.745 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.4 Cg_endo -69.8 149.31 66.45 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.279 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.845 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -40.09 -46.66 2.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.918 0.389 . . . . 0.0 110.921 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -91.86 -44.84 8.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.32 167.27 28.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.521 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -127.27 139.14 53.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.895 0.378 . . . . 0.0 110.79 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 p -59.25 -34.51 72.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.75 49.36 0.94 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.459 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 4.4 p90 -47.49 -44.55 25.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.925 0.393 . . . . 0.0 110.951 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.459 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 11.5 tpt180 -51.57 -59.24 4.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.38 -50.78 70.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.8 m -39.77 -46.28 1.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -63.04 -50.97 68.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.507 ' O ' HG12 ' A' ' 17' ' ' VAL . 11.8 mt -48.63 -53.5 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.555 ' O ' HG23 ' A' ' 18' ' ' THR . 30.6 t-105 -57.82 -41.79 82.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -63.16 -37.0 85.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.442 ' O ' HG22 ' A' ' 19' ' ' THR . 17.1 tt0 -71.25 -61.76 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 13' ' ' LEU . 6.6 p -50.45 -34.49 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.815 HG22 ' CE1' ' A' ' 76' ' ' PHE . 39.6 p -75.52 -53.38 8.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.442 HG22 ' O ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -57.8 -37.71 74.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.567 ' HB2' HD21 ' A' ' 53' ' ' LEU . 26.8 m -72.01 -56.81 4.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.437 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 18.9 t80 -44.19 -58.82 2.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 103' ' ' PHE . 4.6 ttm180 -44.26 -43.57 7.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -66.6 -32.79 74.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . -33.55 -40.26 0.12 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.515 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.547 ' N ' ' CD ' ' A' ' 26' ' ' PRO . 34.6 mmm 60.73 47.82 1.45 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.524 0.678 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 25' ' ' MET . 53.8 Cg_endo -69.7 3.55 2.68 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.726 2.284 . . . . 0.0 112.333 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.56 HD22 ' HB3' ' A' ' 39' ' ' ASN . 82.0 mt -78.12 176.17 9.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 54.59 43.31 30.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.825 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -157.84 103.17 1.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -160.1 160.24 32.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -83.0 14.0 3.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -65.3 118.99 10.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -72.86 -64.87 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -98.18 143.85 28.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -56.67 101.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -117.99 -38.0 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -134.73 153.31 52.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.07 -149.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.56 ' HB3' HD22 ' A' ' 27' ' ' LEU . 9.8 m-20 -84.68 106.29 16.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.936 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.0 m -135.43 151.93 50.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -125.16 130.58 52.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 70.0 p -70.43 137.09 50.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.156 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.431 ' O ' HG23 ' A' ' 47' ' ' VAL . . . -39.74 -48.25 2.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.26 -61.38 4.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -48.14 -45.21 32.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.22 81.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 43' ' ' ALA . 86.2 t -40.57 -44.98 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -71.64 -61.03 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.495 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 1.6 t-105 -43.95 -57.63 3.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.414 HD11 ' CG2' ' A' ' 17' ' ' VAL . 60.8 tp -62.26 -44.45 96.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.402 ' CB ' ' O ' ' A' ' 47' ' ' VAL . 15.9 t80 -53.71 -66.9 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -42.16 -42.63 3.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.567 HD21 ' HB2' ' A' ' 20' ' ' SER . 13.6 tp -65.28 -37.68 87.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.67 -60.62 2.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 7.6 ptm180 -50.41 -36.64 33.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.455 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -50.38 -39.34 46.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -65.17 176.99 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.4 m -92.03 -40.89 10.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.404 ' CG ' HD11 ' A' ' 13' ' ' LEU . 10.4 m120 -57.77 -48.52 79.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -80.24 -42.68 22.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.562 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 52.44 -178.87 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -4.69 14.53 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.712 2.274 . . . . 0.0 112.282 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.05 -39.89 72.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 61' ' ' GLY . 13.7 p -52.63 147.51 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 66' ' ' ARG . 14.2 t -135.8 163.36 30.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 65' ' ' THR . 1.1 mpp_? -34.33 -51.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -40.31 -52.99 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -66.02 -45.44 81.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.1 m -52.78 -52.48 56.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.193 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 18.7 mt -57.81 -39.76 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -59.85 -41.33 91.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.0 tp -74.46 -39.99 62.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 tp -51.73 -34.02 37.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.553 ' HG2' HG22 ' A' ' 94' ' ' VAL . 25.5 mtt180 -61.35 -44.36 97.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -53.26 -48.9 67.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.815 ' CE1' HG22 ' A' ' 18' ' ' THR . 70.9 m-85 -48.87 -63.59 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.612 HD22 ' CG1' ' A' ' 94' ' ' VAL . 4.6 tp -49.63 -33.58 15.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -73.46 -38.78 65.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -77.69 6.55 7.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.465 ' CD2' ' CG ' ' A' ' 89' ' ' TRP . 15.8 t-160 67.36 32.83 5.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.58 ' O ' ' CE1' ' A' ' 103' ' ' PHE . 83.3 t -85.89 -29.65 6.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.404 ' O ' HD12 ' A' ' 77' ' ' LEU . 21.8 pt -141.8 126.65 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.486 ' CG ' ' HG3' ' A' ' 102' ' ' ARG . 13.6 pt-20 -103.53 167.92 9.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -90.6 162.99 14.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.5 tp -41.7 -32.84 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -89.83 -41.16 11.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 128.17 38.87 0.36 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.467 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -94.34 117.41 30.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.465 ' CG ' ' CD2' ' A' ' 80' ' ' HIS . 57.9 p-90 -145.29 158.76 43.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 110.19 -35.48 4.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.558 ' O ' HD23 ' A' ' 77' ' ' LEU . 90.1 p -79.57 169.43 18.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.352 . . . . 0.0 110.837 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -117.29 17.82 14.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -90.68 104.93 17.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.612 ' CG1' HD22 ' A' ' 77' ' ' LEU . 35.5 m -152.05 146.64 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -139.62 178.05 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -80.31 13.14 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -58.4 178.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.88 17.93 3.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -59.67 125.92 25.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 43.7 mt -71.93 151.26 43.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -144.0 170.09 16.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.486 ' HG3' ' CG ' ' A' ' 83' ' ' GLU . 4.6 ptm85 -162.32 177.13 9.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.586 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 2.7 t80 -99.22 140.81 21.95 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.693 0.759 . . . . 0.0 110.807 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.586 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 54.0 Cg_endo -69.73 174.29 9.7 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.657 2.238 . . . . 0.0 112.353 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.855 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 p -59.54 -31.88 69.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.924 0.393 . . . . 0.0 110.901 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -79.44 114.3 18.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.85 42.24 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -86.88 -49.64 7.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.899 0.38 . . . . 0.0 110.877 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.2 m -62.77 -59.06 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.26 46.43 3.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.556 ' CG ' ' N ' ' A' ' 9' ' ' ARG . 5.9 p90 -74.19 -49.41 23.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.896 0.379 . . . . 0.0 110.873 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.556 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 53.3 ttp180 -36.1 -45.07 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.77 -42.64 60.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 8' ' ' TYR . 98.9 m -57.89 -45.45 86.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -51.57 -58.1 7.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.55 HD21 ' CE2' ' A' ' 60' ' ' PHE . 20.0 tp -53.4 -60.49 3.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.605 ' O ' HG23 ' A' ' 18' ' ' THR . 48.2 t-105 -48.87 -44.5 39.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -62.61 -33.46 75.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -75.44 -60.81 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.485 HG12 ' O ' ' A' ' 13' ' ' LEU . 3.4 p -52.04 -41.63 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 14' ' ' TRP . 44.3 p -64.84 -52.52 56.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.3 m -58.2 -52.16 66.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.6 m -60.13 -50.17 74.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -54.65 -57.65 10.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.577 ' HG3' ' CZ ' ' A' ' 103' ' ' PHE . 1.1 ttm180 -37.97 -63.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -64.74 -33.13 75.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.578 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . -33.89 -91.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 17.2 mmt -81.27 124.88 80.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.707 . . . . 0.0 110.847 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -175.14 1.06 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.618 2.212 . . . . 0.0 112.366 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.7 mt -112.09 -35.75 5.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -73.49 -40.54 64.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.83 119.64 25.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.453 ' O ' ' C ' ' A' ' 31' ' ' ARG . 17.8 p-80 -165.45 161.27 18.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 30' ' ' HIS . 21.7 mmt85 -34.29 -65.48 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.468 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . 2.6 tp60 -56.7 133.06 53.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.401 ' O ' ' HD2' ' A' ' 35' ' ' LYS . 8.1 t-80 -107.34 -23.13 12.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -62.49 -11.79 18.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.401 ' HD2' ' O ' ' A' ' 33' ' ' HIS . 3.1 mptt 60.96 41.52 14.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -95.69 -37.78 10.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 32' ' ' GLN . 6.0 m-30 -41.05 -63.6 0.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.58 60.04 0.52 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.447 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.5 m120 62.51 47.84 4.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.815 0.34 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 98.8 m -128.26 170.8 12.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -156.81 143.05 18.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.501 ' N ' HD23 ' A' ' 100' ' ' LEU . 64.1 p -62.05 142.65 57.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.123 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' GLY . . . -66.87 -46.6 74.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' ALA . . . -35.49 -59.0 0.85 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.519 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -57.61 -41.25 80.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.74 -45.1 78.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.9 t -48.05 -49.45 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -65.4 -46.87 78.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.585 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 1.2 t-105 -54.07 -55.19 29.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.3 tp -63.21 -50.58 69.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -49.24 -62.43 1.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -46.2 -45.43 16.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.581 HD13 ' CH2' ' A' ' 49' ' ' TRP . 8.3 tp -61.2 -42.7 99.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.34 -63.42 1.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 4.7 ptm180 -50.0 -36.83 30.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.468 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 23.7 t-20 -51.99 -34.94 44.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.4 ' ND2' ' HB2' ' A' ' 59' ' ' ASN . 62.2 t30 -78.89 172.76 13.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.6 m -84.51 -49.73 8.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.812 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.4 ' HB2' ' ND2' ' A' ' 57' ' ' ASN . 11.8 m-20 -42.0 -59.86 1.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.55 ' CE2' HD21 ' A' ' 13' ' ' LEU . 84.0 m-85 -75.06 -37.96 61.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.818 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.41 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 55.49 177.35 0.22 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -12.25 32.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.389 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.75 -37.22 86.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 61' ' ' GLY . 9.7 p -55.03 131.68 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.16 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.7 t -115.4 163.84 15.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 67' ' ' GLN . 12.1 ttm180 -40.57 -53.47 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' ARG . 36.8 mt-30 -34.33 -62.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -54.66 -42.75 71.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 66' ' ' ARG . 41.1 m -55.34 -51.21 67.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.472 HD13 ' OD1' ' A' ' 95' ' ' ASP . 84.7 mt -56.73 -44.11 80.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -60.93 -44.95 96.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 47.2 tp -62.22 -55.37 29.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.7 tp -38.99 -37.76 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.571 ' HG2' HG22 ' A' ' 94' ' ' VAL . 48.9 mtt180 -55.3 -57.21 12.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -41.07 -57.92 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.58 ' CE1' HG22 ' A' ' 18' ' ' THR . 19.3 m-85 -44.33 -52.31 7.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.543 HD21 ' HB3' ' A' ' 91' ' ' SER . 13.9 tp -54.51 -40.29 68.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.937 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -74.61 -30.71 61.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -81.44 14.83 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 58.72 32.15 21.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.597 ' O ' ' CE1' ' A' ' 103' ' ' PHE . 61.7 t -88.32 -33.39 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.7 pt -139.63 119.58 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.417 ' CG ' ' HG2' ' A' ' 102' ' ' ARG . 10.5 pt-20 -95.22 151.92 18.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.15 159.35 24.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 102' ' ' ARG . 3.9 tt -42.78 -26.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.03 -44.7 9.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 127.11 46.29 0.2 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.465 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -105.12 120.15 40.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.758 0.314 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 32.2 p-90 -118.01 16.48 14.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -146.99 52.92 0.55 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.543 ' HB3' HD21 ' A' ' 77' ' ' LEU . 1.1 t -111.3 -28.85 8.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 91' ' ' SER . 7.4 pt-20 48.76 32.05 3.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -136.55 105.42 5.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.571 HG22 ' HG2' ' A' ' 74' ' ' ARG . 17.4 m -142.99 161.43 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.472 ' OD1' HD13 ' A' ' 70' ' ' ILE . 23.3 t70 -163.9 177.99 8.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -74.5 5.29 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.4 ' ND2' ' HB3' ' A' ' 95' ' ' ASP . 55.2 m-20 -54.55 178.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.84 16.07 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -69.71 120.62 15.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.501 HD23 ' N ' ' A' ' 42' ' ' THR . 34.2 mt -75.41 165.48 25.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.546 ' CZ ' HG12 ' A' ' 94' ' ' VAL . 56.0 m-85 -156.13 163.11 40.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.437 ' HD3' ' HA ' ' A' ' 85' ' ' ILE . 1.3 ptt180 -149.85 172.77 14.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 81' ' ' VAL . 4.4 t80 -108.9 140.67 22.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.644 0.735 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.6 Cg_endo -69.69 149.79 67.79 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.819 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.4 p -78.63 117.18 19.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.868 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 m -121.09 122.74 40.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.817 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.06 128.63 1.1 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 m -130.54 177.48 7.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.877 0.37 . . . . 0.0 110.845 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -146.89 105.54 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.831 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.57 41.06 99.84 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.417 ' O ' ' C ' ' A' ' 9' ' ' ARG . 11.2 p90 -43.68 -59.5 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 110.88 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 21.6 ptt180 -35.41 -40.73 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.472 ' N ' ' HG3' ' A' ' 9' ' ' ARG . . . -84.33 -50.31 7.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.5 m -45.26 -43.2 10.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -59.24 -56.27 24.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.907 HD21 ' CE1' ' A' ' 60' ' ' PHE . 58.9 tp -60.6 -58.27 9.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 42.7 t-105 -46.25 -44.08 16.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -67.21 -38.13 84.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.69 -55.16 18.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.691 HG23 HD23 ' A' ' 53' ' ' LEU . 4.4 p -57.68 -42.69 82.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.166 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.407 ' N ' HG13 ' A' ' 17' ' ' VAL . 8.0 p -64.3 -52.48 58.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.9 m -45.95 -52.64 11.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.583 ' HB3' HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -60.15 -42.92 95.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.831 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.523 ' CZ ' HG21 ' A' ' 82' ' ' ILE . 37.2 t80 -50.79 -50.09 56.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.403 ' C ' ' HD2' ' A' ' 22' ' ' ARG . 5.2 tmm_? -46.9 -60.2 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.04 -63.65 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.06 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.549 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . 41.04 -136.57 2.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.3 mtm -94.58 154.02 40.17 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.514 0.673 . . . . 0.0 110.934 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 166.18 28.43 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.349 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.807 HD13 ' OD1' ' A' ' 39' ' ' ASN . 5.9 mt -68.19 116.3 8.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.6 mmm-85 -75.91 -64.96 0.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -167.11 169.66 12.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -105.95 135.57 47.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.466 ' O ' ' C ' ' A' ' 32' ' ' GLN . 11.0 ttt85 -97.93 -57.13 2.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.52 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 24.1 tp60 -32.56 -48.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 32' ' ' GLN . 47.1 m-70 -168.55 177.97 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.53 ' O ' ' CG ' ' A' ' 35' ' ' LYS . 26.0 m-85 -118.4 122.95 44.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.53 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 11.7 pttp 50.93 33.84 9.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.0 tttt -108.87 -30.31 8.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 32' ' ' GLN . 6.5 p90 -138.52 159.3 42.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.93 162.29 0.86 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.807 ' OD1' HD13 ' A' ' 27' ' ' LEU . 7.6 t-20 -63.27 102.02 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.781 0.324 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.7 m -133.36 172.11 13.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -130.71 137.33 49.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.5 p -70.03 142.11 52.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.644 ' HB2' ' CE2' ' A' ' 101' ' ' PHE . . . -49.97 -43.76 50.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -45.71 -54.16 8.02 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -54.6 -45.89 73.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.346 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -50.51 -35.82 31.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.542 ' O ' HG21 ' A' ' 69' ' ' THR . 99.4 t -54.41 -52.92 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -65.25 -50.34 66.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.679 ' CH2' HD13 ' A' ' 53' ' ' LEU . 1.5 t-105 -52.49 -47.64 66.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.3 tp -71.74 -40.11 69.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 51' ' ' TYR . 2.1 t80 -51.75 -53.12 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.977 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.476 ' HA ' ' CG ' ' A' ' 55' ' ' ARG . 2.7 t70 -55.65 -41.86 74.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.691 HD23 HG23 ' A' ' 17' ' ' VAL . 6.2 tp -60.78 -49.01 79.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.467 HD11 HD23 ' A' ' 72' ' ' LEU . 21.7 mt -70.3 -62.64 1.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.505 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -42.61 -39.68 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -65.71 -40.04 91.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -64.21 160.22 18.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.7 t -86.23 -44.88 11.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -41.79 -53.0 3.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.907 ' CE1' HD21 ' A' ' 13' ' ' LEU . 92.5 m-85 -86.71 -42.69 13.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 55' ' ' ARG . . . 81.14 168.67 40.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -13.92 35.23 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.721 2.281 . . . . 0.0 112.31 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -60.51 -20.92 61.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.1 p -54.7 133.99 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.4 p -123.0 166.16 15.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.452 ' HB3' ' NH1' ' A' ' 66' ' ' ARG . 17.0 ttp-105 -38.7 -53.96 1.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -48.77 -50.88 31.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.08 -47.55 85.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.542 HG21 ' O ' ' A' ' 47' ' ' VAL . 28.4 m -53.22 -46.02 68.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.1 mt -64.97 -44.58 96.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -52.51 -52.94 52.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.467 HD23 HD11 ' A' ' 54' ' ' LEU . 61.3 tp -60.48 -42.55 96.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.2 tp -46.17 -43.65 15.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.452 ' HG2' HG22 ' A' ' 94' ' ' VAL . 46.3 mtt180 -45.18 -45.2 11.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -56.3 -50.34 71.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -45.51 -63.12 1.03 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 25.1 tp -53.89 -35.44 61.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -66.32 -41.45 89.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -81.35 15.49 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.527 ' CG ' ' O ' ' A' ' 80' ' ' HIS . 20.6 t-160 57.74 32.37 21.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.1 t -81.25 -34.17 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.523 HG21 ' CZ ' ' A' ' 21' ' ' PHE . 20.0 pt -138.43 123.58 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -101.08 149.9 23.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.29 170.75 15.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.726 HG23 ' HD3' ' A' ' 86' ' ' LYS . 3.2 tp -59.25 -33.92 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.726 ' HD3' HG23 ' A' ' 85' ' ' ILE . 1.1 mppt? -85.93 -43.87 12.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 126.23 41.47 0.33 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.526 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -82.61 17.96 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.755 0.312 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -52.13 158.88 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.87 34.17 43.75 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 38.1 m -142.56 177.96 7.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.353 . . . . 0.0 110.877 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -117.53 -28.57 6.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -52.08 103.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 94' ' ' VAL . 35.6 m -144.46 116.42 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -111.09 168.15 9.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.85 15.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -63.36 178.59 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -80.78 15.65 1.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -56.34 114.56 2.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.469 HD13 ' CD2' ' A' ' 37' ' ' TYR . 72.6 mt -63.87 142.38 58.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.644 ' CE2' ' HB2' ' A' ' 43' ' ' ALA . 14.6 m-85 -131.34 175.85 8.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.2 ptm85 -165.56 169.67 15.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.516 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 30.0 t80 -112.14 139.0 21.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.516 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.5 Cg_endo -69.82 -173.57 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.252 . . . . 0.0 112.322 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 179.906 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 p -64.15 -51.45 63.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 110.851 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -103.09 174.42 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.89 -169.19 44.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.429 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.4 p -140.93 128.44 21.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 0.0 110.825 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -92.54 -56.61 2.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.9 55.13 0.58 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.559 ' CD2' ' HD2' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -63.35 -41.42 98.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.924 0.393 . . . . 0.0 110.972 -179.846 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.559 ' HD2' ' CD2' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -50.01 -38.73 38.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.87 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.1 -44.06 14.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.1 m -51.18 -44.3 61.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.103 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.1 tttt -50.07 -48.56 53.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.586 HD21 ' ND2' ' A' ' 59' ' ' ASN . 7.9 mt -73.74 -52.92 11.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.521 ' O ' HG23 ' A' ' 18' ' ' THR . 64.3 t-105 -45.24 -47.74 12.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -66.24 -58.66 4.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -44.69 -48.63 10.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 13' ' ' LEU . 58.3 t -60.8 -58.99 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 14' ' ' TRP . 58.4 p -48.88 -42.14 35.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.178 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.9 m -57.08 -52.08 66.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.744 ' HB2' HD21 ' A' ' 53' ' ' LEU . 21.0 m -63.96 -60.5 3.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -50.76 -56.17 13.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -46.84 -46.01 20.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -63.87 -42.3 97.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.458 ' HA3' ' CZ2' ' A' ' 49' ' ' TRP . . . -34.5 -76.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.594 ' N ' ' CD ' ' A' ' 26' ' ' PRO . 3.0 ttt 67.53 44.5 0.32 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.557 0.694 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 25' ' ' MET . 53.4 Cg_endo -69.78 126.95 13.89 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.9 mt -126.98 120.58 29.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.441 ' O ' ' NE2' ' A' ' 30' ' ' HIS . 9.8 ttm180 -119.09 167.28 11.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 30' ' ' HIS . 18.9 tptt -52.68 149.15 6.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.493 ' CG ' HD21 ' A' ' 100' ' ' LEU . 8.1 m80 -127.79 131.81 49.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -46.9 -41.32 15.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.533 ' OE1' ' CD2' ' A' ' 37' ' ' TYR . 26.2 mt-30 -52.64 141.9 19.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -117.8 15.42 14.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.803 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -88.49 177.85 6.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.7 ptpt -85.15 -28.69 25.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.606 ' O ' ' CG ' ' A' ' 37' ' ' TYR . 4.9 ptpt -52.31 179.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.621 ' HB3' HD13 ' A' ' 85' ' ' ILE . 50.0 p90 48.34 38.55 10.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.499 ' C ' ' O ' ' A' ' 37' ' ' TYR . . . -30.04 -46.88 0.11 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.482 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -144.31 102.12 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.785 0.326 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.471 ' CB ' ' O ' ' A' ' 101' ' ' PHE . 64.2 m -137.68 155.53 49.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -118.54 127.7 53.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 81.7 p -67.51 133.19 49.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.23 -50.72 6.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.48 -53.08 13.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.436 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -56.1 -44.34 78.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.855 0.36 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.06 -37.6 72.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.4 ' O ' ' CB ' ' A' ' 51' ' ' TYR . 94.3 t -51.29 -44.79 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -75.44 -48.8 21.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.464 ' CD1' ' HG3' ' A' ' 26' ' ' PRO . 5.6 t-105 -51.09 -45.61 61.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.717 HD21 HD23 ' A' ' 72' ' ' LEU . 30.5 tp -78.29 -46.54 19.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.514 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 47.2 t80 -54.15 -60.89 2.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.51 -39.09 22.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.822 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.744 HD21 ' HB2' ' A' ' 20' ' ' SER . 17.7 tp -64.46 -47.51 78.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 65.8 mt -61.23 -60.56 3.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.514 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 30.7 ptt85 -47.99 -43.71 29.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.469 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 18.1 t-20 -51.05 -37.02 42.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -80.21 150.49 30.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 59' ' ' ASN . 45.2 t -69.1 -48.5 62.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.586 ' ND2' HD21 ' A' ' 13' ' ' LEU . 32.7 m-20 -32.96 -54.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -87.97 -51.7 5.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.627 ' O ' HG12 ' A' ' 64' ' ' VAL . . . 81.53 172.64 47.12 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -13.83 35.15 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.241 . . . . 0.0 112.339 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -61.89 -36.07 80.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.627 HG12 ' O ' ' A' ' 61' ' ' GLY . 14.3 p -52.58 138.45 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.1 t -114.45 173.16 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 69' ' ' THR . 12.2 mtm180 -53.57 -51.97 61.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' ARG . 0.8 OUTLIER -35.64 -52.89 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -58.55 -42.72 88.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 66' ' ' ARG . 88.9 m -55.55 -49.45 72.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 88.4 mt -57.77 -43.36 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -62.46 -45.94 90.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.717 HD23 HD21 ' A' ' 50' ' ' LEU . 18.7 tp -64.9 -47.5 77.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.0 tp -43.81 -45.69 7.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.472 ' HG2' HG22 ' A' ' 94' ' ' VAL . 56.5 mtt180 -47.62 -58.87 3.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -38.59 -57.94 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.545 ' HD1' HG11 ' A' ' 81' ' ' VAL . 72.4 m-85 -40.57 -60.74 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.496 HD11 ' O ' ' A' ' 88' ' ' ARG . 11.4 tp -53.19 -40.61 64.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -63.81 -39.93 95.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -79.29 10.76 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 63.77 32.84 13.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.545 HG11 ' HD1' ' A' ' 76' ' ' PHE . 95.8 t -83.61 -33.91 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.168 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 28.1 pt -144.23 127.92 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.466 ' CG ' ' HG3' ' A' ' 102' ' ' ARG . 17.3 pt-20 -109.42 153.41 24.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.595 ' OD1' HG22 ' A' ' 85' ' ' ILE . 2.7 t70 -74.11 161.69 29.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.621 HD13 ' HB3' ' A' ' 37' ' ' TYR . 4.7 tp -39.97 -34.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.129 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -84.63 -40.98 16.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 114.57 44.46 0.71 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.496 ' O ' HD11 ' A' ' 77' ' ' LEU . 17.4 ptp180 -97.69 102.85 14.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 30.3 p-90 -110.47 177.32 4.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 59.41 39.23 94.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.453 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.515 ' O ' ' CG ' ' A' ' 92' ' ' GLU . 57.4 m -115.86 -30.11 6.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.348 . . . . 0.0 110.865 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 91' ' ' SER . 5.2 pt-20 49.81 32.59 5.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -131.25 104.79 7.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.472 HG22 ' HG2' ' A' ' 74' ' ' ARG . 32.2 m -141.85 156.58 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -133.38 177.95 7.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 20.9 t70 -81.25 15.17 2.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -61.04 178.3 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.84 17.58 20.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -58.03 132.18 52.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.493 HD21 ' CG ' ' A' ' 30' ' ' HIS . 73.6 mt -67.27 143.67 56.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.471 ' O ' ' CB ' ' A' ' 40' ' ' CYS . 24.6 m-85 -135.33 175.06 9.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.466 ' HG3' ' CG ' ' A' ' 83' ' ' GLU . 3.8 ptm85 -159.56 174.0 15.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.563 ' CD1' ' HD2' ' A' ' 104' ' ' PRO . 3.4 t80 -108.42 135.48 19.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.686 0.755 . . . . 0.0 110.855 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.563 ' HD2' ' CD1' ' A' ' 103' ' ' PHE . 53.7 Cg_endo -69.8 -172.67 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.049 179.885 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.4 t -84.15 109.46 17.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.837 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -129.18 171.05 12.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.834 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.46 60.82 0.26 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -123.03 145.34 48.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.927 0.394 . . . . 0.0 110.857 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 m -139.61 152.73 47.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.826 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.02 46.52 3.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' ARG . 22.8 p90 -74.86 -52.01 12.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.915 0.388 . . . . 0.0 110.936 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' TYR . 7.4 ptm180 -37.71 -44.46 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.77 -52.87 8.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.8 m -40.37 -60.76 1.03 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 13' ' ' LEU . 2.9 ttmp? -39.57 -57.89 1.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.509 ' O ' HG23 ' A' ' 17' ' ' VAL . 13.0 tp -36.9 -50.78 0.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.483 ' CZ2' ' ND2' ' A' ' 79' ' ' ASN . 53.2 t-105 -57.56 -51.47 69.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -56.76 -47.2 80.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -54.73 -44.11 73.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.608 HG12 ' HZ ' ' A' ' 76' ' ' PHE . 91.9 t -64.29 -62.24 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.1 p -50.97 -39.73 56.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.3 m -59.8 -54.23 48.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.443 ' HB3' HD13 ' A' ' 53' ' ' LEU . 2.8 m -66.24 -56.06 13.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.413 ' O ' ' C ' ' A' ' 22' ' ' ARG . 34.6 t80 -46.74 -63.99 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.463 ' HG2' ' CE1' ' A' ' 103' ' ' PHE . 4.6 tmm_? -35.71 -60.34 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 24' ' ' GLY . . . -60.22 -63.31 1.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 23' ' ' ALA . . . 34.55 -124.43 0.52 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.458 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.5 ptp -140.56 149.32 56.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.494 0.664 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 175.08 8.61 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.659 2.239 . . . . 0.0 112.338 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.735 ' H ' HD23 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -92.92 118.17 30.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -68.83 -59.03 3.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.419 ' C ' ' HD2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -166.06 166.94 16.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 31' ' ' ARG . 4.9 m-70 -158.96 172.97 17.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' HIS . 24.4 mmt180 -38.15 -55.78 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 2.3 pp0? -58.49 171.78 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.46 ' N ' ' CD ' ' A' ' 32' ' ' GLN . 2.2 t60 -154.7 157.93 38.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.54 ' O ' ' CG ' ' A' ' 35' ' ' LYS . 27.7 t80 60.64 36.02 19.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.54 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 10.7 ptpt 51.34 34.38 11.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 35' ' ' LYS . 1.1 mtpm? -34.81 -49.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 32' ' ' GLN . 2.1 m-85 -88.17 -68.09 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 162.15 42.14 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.623 ' ND2' HD21 ' A' ' 27' ' ' LEU . 10.2 t30 64.01 45.29 4.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.934 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.442 ' SG ' HD22 ' A' ' 100' ' ' LEU . 25.0 p -105.01 164.12 12.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -129.05 157.17 42.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 81.4 p -79.67 163.61 24.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.132 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.6 -43.43 84.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.83 -63.28 3.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.534 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -46.01 -41.89 12.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.367 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.93 -44.24 91.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.713 HG21 ' HB2' ' A' ' 96' ' ' ASP . 71.5 t -49.13 -43.98 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -64.06 -49.87 70.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.494 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 2.5 t-105 -56.58 -49.43 74.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.916 HD22 HG23 ' A' ' 69' ' ' THR . 3.8 tt -63.16 -47.68 81.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -45.98 -59.45 2.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -53.64 -42.06 67.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.443 HD13 ' HB3' ' A' ' 20' ' ' SER . 27.9 tp -59.29 -42.06 90.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.549 ' HG ' HD23 ' A' ' 50' ' ' LEU . 78.1 mt -62.78 -63.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.45 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 10.1 ptm180 -49.31 -41.95 39.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.45 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -45.5 -37.88 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -71.68 177.07 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.1 t -95.62 -44.28 7.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -52.98 -52.65 57.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -70.97 -60.6 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.75 176.55 45.71 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.5 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -9.25 25.64 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.674 2.249 . . . . 0.0 112.381 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -68.73 -28.16 66.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.1 p -53.87 137.66 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.434 HG23 ' HB2' ' A' ' 67' ' ' GLN . 14.1 t -115.29 155.07 27.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.18 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.486 ' HG3' HG11 ' A' ' 47' ' ' VAL . 15.2 ttm105 -40.26 -52.58 2.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.434 ' HB2' HG23 ' A' ' 65' ' ' THR . 33.1 mt-30 -38.55 -48.35 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -56.25 -44.4 79.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.916 HG23 HD22 ' A' ' 50' ' ' LEU . 25.8 m -54.6 -48.31 72.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 60.1 mt -59.3 -40.79 82.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -64.58 -52.64 56.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.76 HD23 HD21 ' A' ' 50' ' ' LEU . 24.3 tp -59.93 -41.75 92.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.8 tp -50.56 -41.36 54.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -47.71 -38.4 15.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 53.7 mttp -64.47 -45.91 85.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.608 ' HZ ' HG12 ' A' ' 17' ' ' VAL . 25.1 m-85 -48.66 -49.3 38.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.517 HD22 ' CG1' ' A' ' 94' ' ' VAL . 24.6 tp -67.96 -41.35 82.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 2.0 pttp -60.84 -32.78 72.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.483 ' ND2' ' CZ2' ' A' ' 14' ' ' TRP . 28.0 m-20 -88.1 6.55 35.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.56 ' CE1' ' CD2' ' A' ' 89' ' ' TRP . 6.2 t-160 65.07 35.03 8.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.805 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.1 t -81.51 -29.5 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.12 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 22.3 pt -139.43 125.68 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.438 ' CD ' ' HA2' ' A' ' 87' ' ' GLY . 6.4 tt0 -100.1 133.62 44.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.416 ' HA ' ' CD1' ' A' ' 101' ' ' PHE . 1.5 m-20 -54.9 177.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.411 HD13 ' SG ' ' A' ' 40' ' ' CYS . 3.8 tp -67.36 -32.12 55.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.077 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -83.59 -45.88 13.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.438 ' HA2' ' CD ' ' A' ' 83' ' ' GLU . . . 136.82 42.2 0.11 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.522 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -101.75 112.38 24.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.935 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.56 ' CD2' ' CE1' ' A' ' 80' ' ' HIS . 31.5 p-90 -133.56 149.03 51.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 106.91 -33.22 6.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.0 p -73.36 175.63 6.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.419 ' O ' HG22 ' A' ' 94' ' ' VAL . 36.5 mt-10 -118.0 -21.74 8.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -53.54 101.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 94' ' ' VAL . 24.0 m -140.77 107.84 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.424 ' HB3' ' ND2' ' A' ' 97' ' ' ASN . 2.2 m-20 -89.12 166.98 13.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.713 ' HB2' HG21 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -114.27 17.2 17.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.424 ' ND2' ' HB3' ' A' ' 95' ' ' ASP . 1.9 m-80 -91.68 -64.78 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 98' ' ' ASN . 0.1 OUTLIER -156.85 102.79 2.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -154.35 102.12 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.442 HD22 ' SG ' ' A' ' 40' ' ' CYS . 82.6 mt -65.87 138.96 58.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 84' ' ' ASP . 29.4 m-85 -134.28 163.8 28.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.408 ' HB2' ' NH1' ' A' ' 102' ' ' ARG . 1.4 ptm85 -153.1 115.1 4.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.869 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.518 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 19.5 t80 -57.72 139.35 81.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 103' ' ' PHE . 53.7 Cg_endo -69.72 164.11 35.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.668 2.246 . . . . 0.0 112.367 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.058 179.88 . . . . . . . . 0 0 . 1 stop_ save_