data_2d8h_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 2d8h _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.185 0 CA-C-O 120.786 0.244 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mt -118.11 153.49 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -109.68 122.9 48.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.4 m -128.5 147.45 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.2 m -104.0 116.97 33.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.91 112.05 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.8 mt -70.09 -30.43 67.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -142.41 157.97 44.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.9 m -72.77 154.58 40.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.914 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 81.5 t80 -149.44 148.55 29.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -129.18 102.32 6.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.486 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -78.87 -175.28 4.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.831 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.1 tp -120.31 153.18 36.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -118.02 117.63 29.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.556 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 42.9 p90 -141.3 176.13 9.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -138.45 152.2 48.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.09 105.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.07 -35.97 3.22 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.48 127.46 32.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.9 mmm-85 -81.65 129.11 34.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.513 HG23 ' CE1' ' A' ' 66' ' ' PHE . 14.9 mt -111.0 128.74 67.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.9 m -82.19 101.9 10.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.4 t -67.62 106.94 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.7 pt -94.87 -38.16 8.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 t -143.24 105.33 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.532 ' HE3' ' CZ2' ' A' ' 55' ' ' TRP . 11.0 ptmt -130.59 170.01 14.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 60.8 p -112.96 175.94 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -89.4 44.36 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.2 m -146.57 132.14 18.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 53.0 m80 -80.43 -27.73 37.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -89.51 46.84 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -149.98 165.19 33.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -91.59 133.3 35.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.543 ' CZ3' ' HB1' ' A' ' 68' ' ' ALA . 51.3 m0 -110.39 174.11 6.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 56.0 tt0 -120.18 112.05 18.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -124.68 -176.17 14.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -130.08 133.97 47.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.322 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.8 tp -143.39 145.34 32.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 41.56 45.11 2.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.42 37.29 94.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -132.45 175.72 9.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.919 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.7 m -147.44 140.75 25.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.09 177.05 48.31 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.2 pt -99.76 148.6 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.88 0.371 . . . . 0.0 111.12 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.513 ' CE1' HG23 ' A' ' 42' ' ' ILE . 50.1 p90 -159.35 152.41 18.37 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.673 0.749 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 122.97 9.65 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.543 ' HB1' ' CZ3' ' A' ' 55' ' ' TRP . . . -58.54 -25.63 62.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.074 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -64.38 -11.41 32.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -96.97 2.05 51.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.9 m -133.37 -179.46 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.942 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.777 0.24 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.6 mt -121.28 147.66 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -100.75 123.18 44.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.0 m -128.34 139.87 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.5 m -97.74 121.33 39.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.98 111.96 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.128 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.3 mt -67.42 -32.4 73.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -142.28 168.41 19.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.982 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 80.7 p -77.2 150.91 35.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.552 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 79.7 t80 -150.83 154.9 38.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -142.64 109.36 5.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.88 179.84 0.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.857 0.36 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 tp -120.07 143.41 48.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -108.26 127.71 54.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.552 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 41.5 p90 -141.66 179.37 6.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 -133.86 154.76 50.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.67 103.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.32 -29.81 5.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.53 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.32 127.89 33.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 0.0 110.832 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -81.27 130.73 35.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.454 HG22 ' CE1' ' A' ' 66' ' ' PHE . 15.7 mt -111.9 131.04 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.2 m -83.02 96.71 8.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.55 110.99 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.136 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.2 pt -97.35 -38.0 7.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.3 t -142.82 114.2 7.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HE3' ' CZ2' ' A' ' 55' ' ' TRP . 17.8 ptmt -130.45 164.92 23.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.8 p -110.16 176.83 4.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -88.09 60.34 5.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.5 t -169.86 142.49 2.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -75.91 -64.18 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -43.52 -52.97 5.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -42.92 155.8 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -91.39 141.85 28.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.532 ' CZ3' ' HB1' ' A' ' 68' ' ' ALA . 50.8 m0 -112.76 173.42 6.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -122.06 115.78 23.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -127.71 -178.22 15.23 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -127.19 132.46 50.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.8 tp -143.06 144.28 32.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 43.34 46.41 5.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.41 42.23 97.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.5 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -138.04 168.68 19.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.379 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.7 m -138.36 137.99 37.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.179 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -178.89 172.38 44.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.8 pt -97.2 155.87 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 111.184 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.454 ' CE1' HG22 ' A' ' 42' ' ' ILE . 49.7 p90 -164.31 152.28 10.78 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.665 0.745 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 122.99 9.64 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.614 2.209 . . . . 0.0 112.353 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.532 ' HB1' ' CZ3' ' A' ' 55' ' ' TRP . . . -59.7 -16.13 24.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -72.11 -13.37 61.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -94.82 -4.73 46.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.6 m -130.08 177.31 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.194 0 CA-C-O 120.757 0.232 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.4 mt -121.12 144.59 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -101.16 124.02 46.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.8 m -128.92 144.24 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.2 m -99.98 118.27 36.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.61 118.89 7.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 73.2 mt -72.73 -35.47 67.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -136.81 157.46 46.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.1 t -70.22 162.15 28.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 61.5 t80 -160.26 157.56 28.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.4 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 11.4 mt-10 -140.67 106.98 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.544 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -105.11 -178.19 3.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.786 0.326 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.4 tp -120.36 143.97 48.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -110.79 124.55 52.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 35.2 p90 -140.62 -179.87 6.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -132.71 165.74 23.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.96 104.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.82 -1.77 25.91 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.28 126.61 32.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.818 0.342 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -76.4 124.85 28.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.9 mt -111.96 116.41 52.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.8 m -70.92 94.31 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.05 109.97 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.3 pt -94.82 -39.56 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.3 t -140.54 113.25 8.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.508 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 26.7 pttt -137.73 167.56 21.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.1 p -114.79 177.31 4.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.181 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -83.75 39.85 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.3 p -150.52 124.07 9.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.4 ' CG ' ' H ' ' A' ' 52' ' ' PHE . 7.3 p80 -70.89 -59.02 3.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.4 ' H ' ' CG ' ' A' ' 51' ' ' HIS . 1.9 t80 -39.98 -37.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.98 161.39 26.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -87.47 138.15 31.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.508 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.4 m0 -112.45 170.15 8.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -118.14 116.52 27.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.05 -176.39 14.43 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.542 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -130.58 132.54 45.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.2 tp -144.03 144.16 31.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 44.98 42.85 6.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.49 37.37 94.58 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -133.01 171.59 13.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 m -141.78 139.92 32.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.68 173.34 45.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.9 pt -97.0 151.33 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -160.36 152.39 16.89 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.629 0.728 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 122.22 8.9 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.25 . . . . 0.0 112.319 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.49 -30.28 64.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -58.69 -14.23 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -96.84 11.09 37.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.9 m -143.48 172.22 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.119 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.3 t . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.782 0.243 . . . . 0.0 112.365 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.8 mt -118.59 149.94 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -104.57 122.13 44.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.5 m -124.96 148.94 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.3 m -104.44 112.79 25.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.31 112.55 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.3 mt -71.31 -31.23 67.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -143.0 160.35 40.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.7 p -71.75 161.41 31.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 62.0 t80 -161.18 153.04 19.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -138.15 106.73 5.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.2 -176.95 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.843 0.354 . . . . 0.0 110.826 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 23.3 tp -122.03 153.85 38.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -114.62 121.61 43.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 45.0 p90 -142.85 175.91 9.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -136.7 157.58 46.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.02 104.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.46 -32.2 4.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.46 131.86 51.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.424 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 1.8 mpp_? -85.32 121.09 27.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.436 HG22 ' CE1' ' A' ' 66' ' ' PHE . 17.5 mt -103.71 120.29 53.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.6 m -76.79 97.55 4.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.168 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.29 111.69 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.9 pt -98.0 -38.72 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 t -142.51 113.27 7.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.49 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 18.2 pttm -130.02 175.15 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 79.5 p -118.22 -179.59 3.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -87.06 44.08 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.6 m -162.27 135.22 5.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -78.47 -50.73 11.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -44.64 -39.79 5.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -66.83 166.31 13.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -92.43 139.06 30.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.49 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.5 m0 -111.52 170.37 8.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.956 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -115.43 113.15 23.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.47 -175.08 14.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.9 mtpt -132.86 134.51 44.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.321 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.9 tp -143.51 146.83 33.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 40.69 46.65 2.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.73 39.25 96.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.519 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -135.68 174.38 10.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.4 m -144.32 141.47 29.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 179.43 170.41 41.18 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.9 pt -92.61 153.25 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.807 0.337 . . . . 0.0 111.175 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.436 ' CE1' HG22 ' A' ' 42' ' ' ILE . 51.1 p90 -163.74 152.41 11.73 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.659 0.742 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 121.58 8.27 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.636 2.224 . . . . 0.0 112.367 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.98 -24.76 63.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.089 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -64.36 -12.23 40.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -98.13 5.53 48.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.6 m -137.47 172.82 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.4 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.146 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.78 0.242 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mt -115.2 147.54 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -110.39 124.57 51.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.8 m -127.1 153.02 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.4 m -108.09 112.01 24.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.92 114.98 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.2 mt -70.07 -35.32 74.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -138.55 176.5 8.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.9 p -80.32 163.08 24.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.498 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 12.2 t80 -158.91 140.54 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -130.76 101.43 5.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.458 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.0 179.4 7.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.415 ' O ' ' CE1' ' A' ' 26' ' ' PHE . 10.5 tp -121.0 141.38 50.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -108.72 121.41 44.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.498 ' CZ ' ' CB ' ' A' ' 26' ' ' PHE . 42.6 p90 -137.55 174.25 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -129.44 157.55 41.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.52 101.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.32 -34.2 3.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.49 130.07 43.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.762 0.315 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -80.87 132.86 35.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.402 HG22 ' CE1' ' A' ' 66' ' ' PHE . 16.7 mt -115.99 119.66 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 93.1 m -74.81 102.24 4.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.1 t -68.62 125.23 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 pt -112.23 -37.04 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.4 t -141.67 106.57 4.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.519 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -139.27 169.37 17.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.1 p -113.07 177.82 4.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -89.54 47.26 1.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -149.2 123.22 9.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -72.16 -26.83 62.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -88.75 48.95 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -153.19 157.62 40.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -84.17 129.18 34.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.519 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.1 m0 -109.53 176.32 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -122.41 115.44 22.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.24 177.7 17.79 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.9 mtpt -123.11 141.09 52.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 35.3 tp -142.96 129.31 19.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.5 mtt-85 47.84 32.41 2.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.82 -27.25 11.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -71.72 161.03 31.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -140.36 150.03 43.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 173.39 -179.32 44.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.0 pt -100.49 154.79 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.402 ' CE1' HG22 ' A' ' 42' ' ' ILE . 48.5 p90 -165.09 152.37 9.71 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.688 0.756 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 121.5 8.18 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.314 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.495 ' HB1' ' CZ3' ' A' ' 55' ' ' TRP . . . -57.36 -19.03 20.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -68.64 -14.29 62.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -95.71 6.02 49.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.08 176.95 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.174 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.964 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.773 0.239 . . . . 0.0 112.365 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 mt -127.11 158.22 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -113.81 122.8 48.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.7 m -127.74 149.69 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.3 m -105.24 117.91 35.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.02 112.75 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.4 mt -67.19 -33.99 76.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -139.93 170.78 15.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.1 p -74.68 167.02 22.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 52.8 t80 -161.94 153.17 18.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -140.64 107.59 5.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.84 -175.35 2.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.823 0.344 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.0 tp -119.92 154.78 33.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -118.5 117.67 29.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 47.8 p90 -139.95 175.88 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -134.32 160.83 36.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.34 103.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.42 -32.49 4.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.5 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.74 130.02 44.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.61 130.58 35.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.476 HG21 ' CE1' ' A' ' 66' ' ' PHE . 19.7 mt -113.59 123.61 69.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.2 m -74.31 102.72 4.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.5 t -69.94 110.22 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.3 pt -97.78 -39.2 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -135.85 116.5 13.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.507 ' HE3' ' CZ2' ' A' ' 55' ' ' TRP . 11.3 ptmt -149.04 -175.38 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.08 154.53 38.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.4 -39.89 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.881 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.0 p -72.49 119.81 17.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.422 ' HA ' ' CZ2' ' A' ' 55' ' ' TRP . 9.0 p-80 -79.88 -40.35 28.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -44.37 -44.25 8.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.27 172.2 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -95.97 136.17 36.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.507 ' CZ2' ' HE3' ' A' ' 47' ' ' LYS . 54.9 m0 -109.65 169.06 8.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -121.25 120.14 34.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -126.28 179.49 16.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.468 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 mtpp -129.24 133.67 47.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.0 tp -145.56 142.83 29.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.966 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 47.52 41.68 13.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.06 39.06 97.57 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -134.98 167.65 20.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.923 0.392 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -137.36 138.46 39.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -173.82 171.9 44.86 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.435 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.7 pt -99.87 155.61 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.368 . . . . 0.0 111.095 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.476 ' CE1' HG21 ' A' ' 42' ' ' ILE . 50.9 p90 -167.42 152.57 6.95 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.624 0.726 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 121.61 8.3 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.355 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.421 ' HB1' ' CZ3' ' A' ' 55' ' ' TRP . . . -59.24 -17.14 25.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -69.22 -16.25 63.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -89.26 -10.76 45.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.2 m -120.84 172.91 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.784 0.243 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.464 ' CD1' ' HE3' ' A' ' 47' ' ' LYS . 5.0 mt -127.58 151.12 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.07 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -108.12 124.75 50.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.9 m -131.09 154.05 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.196 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.3 m -108.4 120.48 42.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.08 105.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.02 -32.06 72.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -137.28 170.31 16.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.4 p -76.11 167.27 22.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.549 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 17.9 t80 -163.92 142.51 7.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -135.14 105.71 6.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 -179.939 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -81.09 -176.7 6.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.894 0.378 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.3 tp -121.35 143.49 49.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -111.47 120.75 43.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.549 ' CZ ' ' CB ' ' A' ' 26' ' ' PHE . 52.2 p90 -139.28 174.67 10.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -132.38 163.86 27.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.03 103.07 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.73 -33.9 3.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -55.8 132.71 50.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.771 0.32 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.03 130.82 34.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.2 mt -112.57 116.88 53.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.5 m -74.55 95.66 2.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.85 118.03 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.6 pt -104.43 -38.07 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 t -146.55 110.96 5.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.49 ' HB2' ' CG ' ' A' ' 55' ' ' TRP . 12.3 pttp -126.76 -177.71 4.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.9 p -123.33 -179.22 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -89.05 43.22 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.4 m -159.2 135.07 8.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -74.54 -63.15 1.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -38.64 -40.54 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.78 166.52 2.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.841 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -95.67 136.86 35.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.553 ' CZ3' ' HB3' ' A' ' 68' ' ' ALA . 54.8 m0 -111.34 172.43 6.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -118.77 113.34 20.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.56 -177.7 15.0 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -128.83 139.62 52.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.7 tp -141.56 129.47 21.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.5 mtp85 46.41 32.28 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.13 -28.56 10.4 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -69.13 156.92 37.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.8 m -138.78 143.82 39.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.57 -176.96 48.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.467 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.3 pt -99.15 156.49 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.372 . . . . 0.0 111.101 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -167.66 151.56 6.15 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.678 0.751 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 122.63 9.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.37 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.553 ' HB3' ' CZ3' ' A' ' 55' ' ' TRP . . . -64.04 -11.24 27.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.084 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -75.12 -15.29 60.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -89.5 -10.04 47.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.4 m -121.38 173.52 7.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.829 0.262 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.5 mt -118.79 157.58 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -113.34 123.07 49.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.6 m -130.26 146.26 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.0 m -101.81 117.29 34.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.86 105.24 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.8 mt -61.69 -31.09 71.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -139.95 160.99 38.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.7 t -73.67 162.94 28.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.82 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 66.4 t80 -159.22 164.39 35.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.51 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 36.3 mt-10 -150.87 112.13 4.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.482 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -57.85 176.83 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.36 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.4 tp -121.54 141.66 50.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -105.94 127.66 53.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 31.8 p90 -141.29 -178.7 5.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -136.79 152.43 50.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.54 104.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.102 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.61 -33.7 4.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -58.22 132.91 54.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.755 0.312 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -82.98 123.62 29.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.463 HD12 ' CG ' ' A' ' 36' ' ' PHE . 19.3 mt -106.03 111.2 34.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.3 m -67.3 97.64 0.56 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.0 t -64.82 114.73 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.5 pt -102.72 -39.29 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.7 t -140.29 105.15 4.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.5 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -131.79 166.6 21.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.88 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.5 p -116.59 174.09 6.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.09 44.7 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.9 m -142.73 116.3 9.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 27.6 p-80 -64.81 -38.55 91.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.816 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -68.49 -43.47 76.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -55.77 161.74 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -92.88 139.78 30.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.5 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 52.5 m0 -112.18 171.06 7.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -120.82 115.18 22.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.83 -175.94 14.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -127.3 138.04 52.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.868 0.366 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.9 tp -138.34 128.32 25.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 46.99 34.79 2.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.87 -28.73 8.87 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -67.55 162.96 22.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.858 0.361 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 64' ' ' GLY . 12.0 m -143.5 144.5 32.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.403 ' N ' HG22 ' A' ' 63' ' ' THR . . . 175.01 -179.59 46.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.5 pt -97.82 158.0 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 111.105 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.456 ' CE2' ' CG2' ' A' ' 42' ' ' ILE . 41.1 p90 -166.17 152.61 8.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.641 0.734 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 121.49 8.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.353 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.43 -26.97 55.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -61.76 -13.51 24.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -97.41 12.56 32.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.1 m -145.36 177.37 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.739 0.225 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mt -119.3 159.64 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.123 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -115.26 124.69 51.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.7 m -131.71 157.85 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.5 m -111.16 122.11 47.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.52 105.42 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.078 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.8 mt -61.77 -33.45 74.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -139.38 155.9 47.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.4 m -69.2 158.56 34.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 79.6 t80 -151.44 162.31 41.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.464 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 40.7 mt-10 -143.06 105.4 4.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 -179.944 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -108.26 -174.99 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.9 tp -119.92 147.02 45.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -108.04 118.08 35.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 55.2 p90 -141.2 161.83 36.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -123.17 161.37 24.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.93 104.29 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.57 -34.34 3.82 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.83 131.44 50.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.342 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -82.44 130.55 35.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.565 HG21 ' CE1' ' A' ' 66' ' ' PHE . 18.9 mt -111.18 118.89 58.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.5 m -71.87 98.74 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 47' ' ' LYS . 59.5 t -67.51 111.49 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.3 pt -96.94 -38.58 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 t -143.05 105.49 4.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.512 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 13.9 pttm -121.3 177.26 5.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.3 p -126.89 172.77 10.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -62.75 -59.98 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.8 m -57.02 143.82 36.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 52' ' ' PHE . 22.2 m-70 -83.75 -63.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 51' ' ' HIS . 30.6 m-85 -35.7 -39.98 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -54.51 161.16 1.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -91.34 139.87 30.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.563 ' CZ3' ' HB3' ' A' ' 68' ' ' ALA . 54.8 m0 -112.11 174.37 5.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -120.87 112.44 18.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -124.56 -178.25 15.28 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -130.15 132.34 46.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.821 0.343 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.7 tp -141.95 144.29 33.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 44.01 47.68 7.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.08 37.98 92.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -134.23 172.5 12.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.913 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 m -142.75 139.33 31.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -176.61 176.25 47.83 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.519 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.0 pt -98.72 155.6 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.886 0.374 . . . . 0.0 111.141 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.565 ' CE1' HG21 ' A' ' 42' ' ' ILE . 50.5 p90 -168.07 152.09 6.03 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.628 0.728 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 121.48 8.17 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.355 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.563 ' HB3' ' CZ3' ' A' ' 55' ' ' TRP . . . -61.91 -11.26 12.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -71.69 -22.9 61.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -87.52 -5.4 58.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.5 m -123.65 170.21 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.159 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.193 0 CA-C-O 120.73 0.221 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mt -117.8 153.5 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.161 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -112.48 127.31 56.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.2 m -135.83 149.64 28.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.3 m -106.17 117.72 34.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.88 109.76 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.088 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.0 mt -64.84 -33.69 76.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -140.81 169.88 16.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 96.4 p -75.0 166.25 23.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 52.1 t80 -162.84 157.39 21.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -140.78 105.42 4.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -101.04 -176.73 3.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.85 0.357 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.8 tp -120.08 148.99 42.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -112.94 119.06 36.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 51.5 p90 -140.58 177.41 8.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -137.23 153.78 50.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.4 104.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.08 -31.81 4.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.84 127.19 30.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.7 mmt-85 -78.07 137.73 38.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.483 HG23 ' CE2' ' A' ' 66' ' ' PHE . 19.6 mt -118.66 118.6 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.5 m -74.25 94.52 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.07 117.4 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.6 pt -102.41 -38.43 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.9 t -141.38 107.05 5.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.521 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -135.37 162.36 32.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 58.7 p -108.26 172.26 6.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -61.03 -46.43 90.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.4 m -63.32 145.69 55.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 30.8 p-80 -90.88 -56.11 3.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -40.44 -42.92 1.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.37 159.33 4.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.404 ' CE3' HD12 ' A' ' 65' ' ' ILE . 11.5 m0 -85.55 143.12 28.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.521 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.8 m0 -116.13 171.29 7.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -118.55 113.57 21.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.86 -178.14 15.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.53 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.4 mtpt -128.32 138.28 52.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.1 tp -143.69 128.39 18.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 49.19 32.37 4.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.82 -25.67 13.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.503 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -73.23 148.6 43.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.899 0.381 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.2 m -130.71 143.02 50.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.21 173.73 43.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.444 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.404 HD12 ' CE3' ' A' ' 54' ' ' TRP . 12.0 pt -92.32 156.75 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.392 . . . . 0.0 111.058 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.483 ' CE2' HG23 ' A' ' 42' ' ' ILE . 48.6 p90 -165.96 152.57 8.74 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.666 0.746 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 121.46 8.15 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.43 ' HB2' ' CZ3' ' A' ' 55' ' ' TRP . . . -59.27 -23.91 62.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -64.32 -12.63 43.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -95.25 0.5 53.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.1 m -134.29 168.2 24.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 -179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.724 0.219 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.8 mt -123.49 157.28 29.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -114.96 122.32 45.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.4 m -124.9 144.45 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.8 m -99.88 120.44 39.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.178 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . -62.63 111.91 2.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.3 mt -70.18 -29.18 65.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -142.91 156.9 44.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.4 m -71.92 152.47 42.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 79.3 t80 -147.42 162.17 39.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.46 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 29.8 mt-10 -144.55 107.69 4.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.439 ' H ' ' ND2' ' A' ' 35' ' ' ASN . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -107.21 -177.19 3.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.4 tp -120.18 144.0 47.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.439 ' ND2' ' H ' ' A' ' 28' ' ' GLY . 2.2 m-80 -111.12 122.29 47.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.537 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 49.0 p90 -140.35 174.71 10.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -128.08 159.76 34.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.57 104.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 22' ' ' ALA . . . 125.13 -33.24 3.73 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.56 138.95 57.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 110.841 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.468 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -89.7 127.28 35.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.516 HG21 ' CE2' ' A' ' 66' ' ' PHE . 15.5 mt -108.82 127.59 65.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.6 m -80.22 99.54 7.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.3 t -65.17 115.68 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.7 pt -104.64 -36.26 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.6 t -142.5 107.86 5.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.465 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 4.3 ptmm? -138.33 170.23 16.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.8 p -117.26 -179.4 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -70.16 -43.86 69.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 72.8 m -65.9 146.48 54.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 52' ' ' PHE . 10.9 m170 -88.26 -62.43 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.416 ' C ' ' O ' ' A' ' 51' ' ' HIS . 6.7 t80 -36.5 -40.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -56.0 157.39 4.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -87.58 138.36 31.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.465 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.9 m0 -111.97 173.63 6.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -122.26 116.87 24.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.98 -178.62 15.46 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.479 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -125.7 132.57 52.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.412 ' CD2' ' HB3' ' A' ' 36' ' ' PHE . 15.6 tp -144.92 144.88 31.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 45.23 41.18 5.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.76 35.52 92.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -131.56 173.34 11.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 110.959 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.3 m -143.67 140.33 30.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.15 -176.52 46.98 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.7 pt -105.1 151.57 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 111.107 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.516 ' CE2' HG21 ' A' ' 42' ' ' ILE . 47.5 p90 -161.54 152.56 15.31 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.45 ' HG2' ' CD1' ' A' ' 70' ' ' TYR . 53.8 Cg_endo -69.76 123.01 9.68 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.667 2.245 . . . . 0.0 112.35 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.23 -21.2 59.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -65.33 -16.09 63.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.45 ' CD1' ' HG2' ' A' ' 67' ' ' PRO . 10.3 m-85 -91.71 -1.74 57.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.5 m -131.29 175.34 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.4 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.177 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.707 0.211 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.7 mt -121.79 146.61 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.149 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -105.04 121.94 44.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.1 m -126.6 149.76 31.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -106.0 121.02 43.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.87 107.97 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 70' ' ' TYR . 61.4 mt -61.56 -30.62 70.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -143.81 166.21 25.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 97.9 p -76.12 157.69 32.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 73.7 t80 -156.45 153.14 28.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -138.96 107.02 5.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.475 -179.94 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.85 -175.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.0 tp -120.13 152.69 37.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -116.52 120.43 38.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 42.3 p90 -142.36 174.11 10.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -130.78 157.86 41.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.71 104.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.47 -35.69 3.65 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.508 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -53.59 128.76 30.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -81.84 128.71 34.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.8 mt -110.77 127.6 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.0 m -80.7 99.13 8.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.47 115.14 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.168 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.2 pt -103.72 -38.05 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -145.13 115.83 7.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.502 ' HB2' ' CG ' ' A' ' 55' ' ' TRP . 12.4 pttp -137.22 178.3 7.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 74.7 p -121.51 171.61 8.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -78.65 47.84 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -163.33 139.71 7.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -81.95 -54.37 5.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -41.87 -39.84 1.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.76 163.71 16.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 12.5 m95 -92.18 136.25 33.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.959 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.502 ' CG ' ' HB2' ' A' ' 47' ' ' LYS . 54.9 m0 -109.76 170.38 8.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -117.43 115.11 24.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -127.9 176.57 17.99 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -124.17 137.25 54.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.761 0.315 . . . . 0.0 110.947 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.432 ' CD1' ' HG2' ' A' ' 60' ' ' ARG . 10.5 tp -141.83 128.7 20.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.432 ' HG2' ' CD1' ' A' ' 59' ' ' LEU . 45.3 mmm-85 45.96 43.58 10.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.64 -24.81 4.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.478 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -73.37 159.7 32.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.917 0.389 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.7 m -146.24 142.16 28.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.51 175.22 45.43 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.6 pt -90.83 152.98 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 0.0 111.154 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -163.56 152.55 12.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.627 0.727 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 122.66 9.36 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.254 . . . . 0.0 112.36 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.432 ' HB2' ' CZ3' ' A' ' 55' ' ' TRP . . . -59.9 -18.75 47.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.096 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.566 ' ND2' ' H ' ' A' ' 69' ' ' ASN . 0.1 OUTLIER -70.3 -14.46 62.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.418 ' O ' ' N ' ' A' ' 23' ' ' LEU . 4.2 m-85 -91.3 -10.15 42.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 m -127.11 -178.18 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 -179.94 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.49 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.829 0.262 . . . . 0.0 112.304 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mt -121.04 161.94 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -116.16 122.39 44.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.7 m -128.88 141.26 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.7 m -97.0 119.13 34.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.93 108.54 1.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.9 mt -65.44 -28.68 69.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -142.1 169.55 17.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.1 p -77.57 162.97 26.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.582 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 51.1 t80 -151.9 164.89 36.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.516 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 36.9 mt-10 -152.05 110.49 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.458 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -106.21 -175.16 2.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.854 0.359 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.1 tp -122.13 153.7 38.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -119.4 118.88 32.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.582 ' CZ ' ' CB ' ' A' ' 26' ' ' PHE . 53.9 p90 -139.66 175.35 9.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -133.0 164.26 27.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.31 103.67 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.95 -26.95 6.62 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.56 129.1 38.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.741 0.305 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.433 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 1.5 mpp_? -80.47 127.71 32.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.4 mt -109.83 119.36 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.0 m -75.42 97.96 3.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 17' ' ' PRO . 41.9 t -66.44 120.13 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.4 pt -103.95 -36.66 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -144.28 107.19 4.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.514 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -135.91 -177.38 4.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.4 p -124.28 156.46 36.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -82.43 63.49 6.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.0 m -173.66 133.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -76.54 -178.45 4.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.471 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 74.4 t80 59.17 31.67 21.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -139.16 156.78 46.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 23.4 m95 -87.8 130.52 34.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.528 ' CE3' ' HB1' ' A' ' 68' ' ' ALA . 54.7 m0 -113.34 171.98 7.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -115.57 113.28 23.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -127.38 179.68 16.28 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.495 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -129.16 139.89 51.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 55.6 tp -141.38 128.85 21.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 46.44 35.2 2.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.92 -28.39 8.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -67.54 163.82 20.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.7 m -148.34 142.86 26.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.26 -171.08 41.97 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.529 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.8 pt -107.77 147.45 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 111.121 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -158.12 151.73 19.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.654 0.74 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 123.85 10.48 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.656 2.238 . . . . 0.0 112.307 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.528 ' HB1' ' CE3' ' A' ' 55' ' ' TRP . . . -56.87 -30.79 64.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -59.99 -17.33 37.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -89.78 0.34 57.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 19.2 m -136.01 170.21 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 -179.921 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.72 0.217 . . . . 0.0 112.38 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.6 mt -111.89 151.56 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -113.98 125.79 54.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.1 m -132.13 150.76 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 m -101.82 127.9 48.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.69 113.81 5.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.78 -29.8 67.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -142.17 160.49 40.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.8 m -74.86 154.65 38.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.844 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.561 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 78.3 t80 -152.58 156.83 40.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -142.54 107.92 5.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.431 -179.937 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.82 -179.04 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.816 0.341 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 tp -121.69 139.32 53.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -106.28 121.54 44.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 31.2 p90 -135.35 177.83 7.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -133.81 151.44 51.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.3 104.03 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.43 -35.42 3.61 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.451 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.73 126.96 23.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.784 0.326 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.437 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 2.0 mpp_? -81.0 123.52 28.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.418 HG22 ' CE1' ' A' ' 66' ' ' PHE . 18.6 mt -106.83 123.69 62.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.3 m -80.49 98.55 7.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 47' ' ' LYS . 59.9 t -66.33 117.11 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.6 pt -103.92 -37.0 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -138.46 105.23 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.821 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.515 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 22.1 pttt -133.53 169.62 16.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.5 p -114.26 175.93 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.42 -45.45 87.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.7 p -70.19 149.31 47.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 52' ' ' PHE . 32.8 m80 -91.45 -56.4 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 51' ' ' HIS . 14.8 t80 -36.58 -43.0 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.35 162.13 2.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -88.22 136.64 32.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.515 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.5 m0 -110.1 171.12 7.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -121.86 119.31 31.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -130.62 -171.94 13.02 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -129.78 139.6 51.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.0 tp -145.45 129.06 17.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 47.0 54.1 9.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 57.91 43.65 94.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -137.21 166.56 23.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.924 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.1 m -142.21 138.28 31.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.28 175.45 47.14 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.7 pt -99.72 150.52 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.893 0.378 . . . . 0.0 111.103 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.418 ' CE1' HG22 ' A' ' 42' ' ' ILE . 50.7 p90 -159.91 152.54 17.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.644 0.735 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 121.55 8.24 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.09 -26.37 66.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -64.12 -11.1 26.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -95.78 -6.22 40.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.2 m -124.7 178.63 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.155 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.768 0.237 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.4 mt -124.11 153.23 30.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -110.36 123.74 50.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.1 m -129.65 143.35 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.0 m -97.19 120.53 37.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.89 109.65 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.8 mt -65.27 -31.93 73.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -140.1 162.04 36.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.9 t -74.35 163.09 28.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.564 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 67.7 t80 -158.15 161.11 37.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 18.0 mt-10 -142.27 108.48 5.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -111.62 -177.49 3.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.836 0.35 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.4 tp -120.27 146.62 45.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -112.0 121.28 44.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 40.2 p90 -138.36 176.98 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -135.09 151.25 50.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.59 104.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.35 -34.95 3.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.15 131.12 50.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.61 127.96 33.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.0 mt -109.76 114.27 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.6 m -68.87 96.27 0.75 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.153 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.0 t -67.96 115.16 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.5 pt -102.52 -38.37 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.152 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -138.35 108.56 6.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.51 ' HE2' ' CZ2' ' A' ' 55' ' ' TRP . 4.8 ptmm? -129.92 167.9 17.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.5 p -113.55 173.62 6.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.18 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -83.57 42.87 0.86 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.7 m -153.87 130.58 10.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -72.19 -63.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -38.68 -40.09 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.22 164.55 6.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.422 ' CH2' ' HD3' ' A' ' 67' ' ' PRO . 11.1 m95 -93.74 141.99 27.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.51 ' CZ2' ' HE2' ' A' ' 47' ' ' LYS . 54.5 m0 -113.31 175.64 5.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -124.7 114.8 19.79 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.33 -174.37 13.72 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.541 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.6 mtpt -129.04 132.9 47.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.0 tp -142.38 144.07 32.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 43.68 45.93 6.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.97 36.47 92.27 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.459 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -133.31 172.98 11.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 110.941 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.7 m -142.88 143.1 31.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.31 179.62 48.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.8 pt -101.21 153.09 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -162.67 152.47 13.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.633 0.73 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.422 ' HD3' ' CH2' ' A' ' 54' ' ' TRP . 53.7 Cg_endo -69.76 121.66 8.35 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.697 2.265 . . . . 0.0 112.299 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.3 -29.71 61.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -61.08 -11.69 9.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.418 ' CD1' ' HG2' ' A' ' 67' ' ' PRO . 9.8 m-85 -97.36 6.81 47.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.3 m -138.09 177.91 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 -179.935 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 120.813 0.256 . . . . 0.0 112.307 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.4 mt -122.28 158.43 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -109.84 122.21 47.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.4 m -129.72 146.99 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.096 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.8 m -102.18 126.94 49.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . -69.21 112.5 5.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.76 -25.09 63.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -143.84 160.88 40.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m -72.32 160.17 32.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 79.3 t80 -154.32 160.98 42.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.439 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 19.8 mt-10 -144.17 107.24 4.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -106.82 -175.14 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 110.812 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.6 tp -120.29 142.36 49.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -108.95 124.72 51.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 43.3 p90 -143.3 172.75 12.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -129.52 153.21 48.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.79 103.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 22' ' ' ALA . . . 124.46 -35.78 3.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.43 130.28 44.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.745 0.307 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.417 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 1.6 mpp_? -83.54 130.36 35.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.452 HG23 ' CE1' ' A' ' 66' ' ' PHE . 18.5 mt -113.14 126.68 70.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.4 m -79.86 94.01 5.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.422 ' CG1' ' HB3' ' A' ' 47' ' ' LYS . 58.8 t -60.19 108.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.106 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.7 pt -94.55 -39.14 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 t -141.34 110.03 6.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.518 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 18.6 pttm -127.41 176.01 7.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 81.2 p -120.32 -179.77 4.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -85.96 17.95 3.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.9 m -128.07 135.1 49.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -77.16 -66.17 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -38.73 -38.64 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.23 166.6 2.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.48 ' CH2' ' HD3' ' A' ' 67' ' ' PRO . 11.3 m95 -96.92 134.84 39.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.518 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 53.0 m0 -109.22 172.72 6.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -118.63 119.38 34.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -131.34 177.08 18.78 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.7 mtpp -122.31 134.97 54.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.34 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.478 ' CD1' ' HG2' ' A' ' 60' ' ' ARG . 6.0 tp -137.56 127.93 26.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.478 ' HG2' ' CD1' ' A' ' 59' ' ' LEU . 20.7 mmm180 44.23 38.28 2.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.63 -28.67 6.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 59' ' ' LEU . 3.1 mp0 -66.87 151.23 47.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 m -133.63 143.76 48.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 172.47 -179.62 43.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.506 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.1 pt -100.24 158.51 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 111.092 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.452 ' CE1' HG23 ' A' ' 42' ' ' ILE . 50.8 p90 -165.12 152.63 9.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.706 0.765 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.48 ' HD3' ' CH2' ' A' ' 54' ' ' TRP . 54.0 Cg_endo -69.78 122.05 8.73 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.404 ' HB1' ' CZ3' ' A' ' 55' ' ' TRP . . . -54.34 -33.14 58.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.048 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.528 ' ND2' ' H ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -57.33 -16.18 8.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -94.83 12.08 29.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.0 m -145.89 170.55 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.789 0.246 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.4 HG21 ' N ' ' A' ' 19' ' ' GLU . 8.7 mt -125.59 145.35 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.4 ' N ' HG21 ' A' ' 18' ' ' ILE . 28.9 mt-10 -102.63 126.47 49.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.0 m -135.13 147.33 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -101.29 124.71 47.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.74 109.1 2.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.4 mt -65.43 -31.28 72.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -137.26 160.45 38.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 t -74.16 165.1 25.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 55.8 t80 -164.17 135.01 4.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -122.88 99.37 6.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.91 -177.12 4.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.0 tp -120.86 145.43 47.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -109.98 120.0 41.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 47.0 p90 -143.13 168.6 19.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -127.06 156.13 42.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.44 104.3 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.84 -32.6 4.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.54 137.84 57.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.834 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.1 128.71 35.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.414 ' CG2' ' CE2' ' A' ' 66' ' ' PHE . 18.2 mt -112.87 122.13 66.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.6 m -77.1 103.52 7.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.409 ' CG1' ' HB3' ' A' ' 47' ' ' LYS . 61.7 t -68.06 106.54 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.135 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.3 pt -95.05 -37.94 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 t -139.77 107.37 5.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.486 ' HE3' ' CH2' ' A' ' 55' ' ' TRP . 3.7 ptmm? -136.06 169.4 17.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.4 p -117.35 178.19 4.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -65.95 -50.95 62.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.1 m -61.37 155.67 20.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 52' ' ' PHE . 7.7 p-80 -96.78 -62.21 1.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.436 ' C ' ' O ' ' A' ' 51' ' ' HIS . 14.6 m-85 -35.1 -39.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.54 166.91 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -95.75 139.09 32.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.542 ' CZ3' ' HB2' ' A' ' 68' ' ' ALA . 54.9 m0 -113.62 171.49 7.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -122.38 117.08 25.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.69 179.76 16.41 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.2 mtpp -125.22 137.79 54.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.0 tp -138.1 128.41 26.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.3 mtp85 50.2 29.57 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.35 -24.8 27.44 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -69.65 166.42 19.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.938 0.399 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 m -145.69 140.95 27.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 179.1 178.82 48.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.527 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.6 pt -97.59 153.08 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.918 0.39 . . . . 0.0 111.098 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.414 ' CE2' ' CG2' ' A' ' 42' ' ' ILE . 31.3 p90 -163.74 152.53 11.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.631 0.729 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 121.49 8.17 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.542 ' HB2' ' CZ3' ' A' ' 55' ' ' TRP . . . -59.15 -20.08 50.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -68.95 -15.1 63.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -91.09 -4.69 56.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.9 m -127.27 -177.47 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.106 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.186 0 CA-C-O 120.754 0.231 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.2 mt -123.45 154.32 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -110.42 123.89 50.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.7 m -131.54 143.03 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.2 m -100.02 119.21 37.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.7 110.9 1.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.8 mt -67.67 -33.22 74.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -138.37 160.1 40.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.7 t -70.44 166.33 20.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.543 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 67.4 t80 -159.58 157.38 29.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.883 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -139.03 105.54 5.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.435 -179.934 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -107.19 -178.16 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.329 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tp -120.63 141.58 50.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -109.06 126.87 53.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.543 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 36.3 p90 -142.68 179.6 6.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -135.93 156.55 48.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.9 104.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.78 -31.55 4.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.463 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.17 131.56 50.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.861 0.362 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -82.72 134.04 35.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.3 mt -116.91 116.72 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 87.1 m -72.34 100.05 2.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 68.2 t -64.52 113.11 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.6 pt -99.79 -38.79 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.19 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.7 t -141.51 106.33 4.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.522 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 25.0 pttt -136.26 167.95 20.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.1 p -114.62 -179.13 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.153 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -85.34 38.47 0.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.3 m -149.92 127.34 11.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.437 ' CD2' ' H ' ' A' ' 52' ' ' PHE . 17.5 p-80 -74.84 -56.11 5.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.437 ' H ' ' CD2' ' A' ' 51' ' ' HIS . 22.5 t80 -38.81 -43.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -65.54 163.26 16.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.41 ' CE3' HD12 ' A' ' 65' ' ' ILE . 11.7 m95 -88.94 141.24 28.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.522 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.5 m0 -117.16 171.69 7.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.979 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -119.43 115.27 23.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.64 178.5 17.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -120.99 136.42 54.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.446 HD11 ' CD ' ' A' ' 60' ' ' ARG . 15.9 tp -134.45 128.18 32.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.446 ' CD ' HD11 ' A' ' 59' ' ' LEU . 0.5 OUTLIER 44.24 34.07 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.79 -31.36 7.3 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' LEU . 13.6 mm100 -66.67 165.0 15.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.939 0.4 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.2 m -144.81 145.44 31.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.7 -176.91 47.55 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.517 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.41 HD12 ' CE3' ' A' ' 54' ' ' TRP . 9.7 pt -100.93 153.83 4.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.873 0.368 . . . . 0.0 111.114 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -163.61 152.71 12.18 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.684 0.754 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.404 ' HG2' ' CD1' ' A' ' 70' ' ' TYR . 53.8 Cg_endo -69.79 122.38 9.05 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.246 . . . . 0.0 112.356 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.451 ' HB1' ' CZ3' ' A' ' 55' ' ' TRP . . . -57.19 -25.84 59.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.074 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -64.61 -11.56 36.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.404 ' CD1' ' HG2' ' A' ' 67' ' ' PRO . 6.3 m-85 -95.87 3.86 53.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.5 m -135.83 173.17 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.179 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.202 0 CA-C-O 120.769 0.237 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mt -125.39 154.81 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -108.52 126.58 53.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.8 m -134.76 138.61 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.7 m -96.93 127.78 43.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . -68.43 105.1 2.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.081 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.9 mt -61.39 -33.18 73.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -139.45 174.86 10.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.8 p -82.41 158.92 23.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.522 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 78.4 t80 -151.85 158.99 43.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.402 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 18.0 mt-10 -141.26 105.09 4.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -108.18 -176.63 3.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.374 . . . . 0.0 110.82 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.0 tp -121.69 138.99 54.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -105.26 124.55 49.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.522 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 45.5 p90 -138.55 176.14 8.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -131.85 154.51 49.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.35 104.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.075 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' ALA . . . 123.25 -34.96 3.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -58.82 132.09 52.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -83.22 135.32 34.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.8 mt -118.49 115.59 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.4 m -71.44 98.05 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 49.6 t -65.68 123.31 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.5 pt -109.68 -37.53 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 t -140.68 107.05 5.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.497 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 5.9 ptmm? -130.71 173.59 10.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.4 p -119.87 169.95 9.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -79.59 47.1 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.1 m -158.11 133.15 8.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -75.97 -60.23 2.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -39.41 -42.06 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -62.57 165.52 6.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -96.97 137.73 35.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.497 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 53.9 m0 -111.05 171.43 7.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -120.28 114.11 21.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.06 -173.21 13.64 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -127.08 137.73 53.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.479 ' CD1' ' HG2' ' A' ' 60' ' ' ARG . 5.7 tp -140.99 127.75 20.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.479 ' HG2' ' CD1' ' A' ' 59' ' ' LEU . 21.3 mmm-85 44.41 45.78 7.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.12 -25.78 4.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.524 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -71.54 166.43 21.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.93 0.395 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.455 HG21 ' N ' ' A' ' 64' ' ' GLY . 20.2 m -151.43 145.67 25.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.455 ' N ' HG21 ' A' ' 63' ' ' THR . . . 175.26 -172.78 45.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.3 pt -102.34 153.75 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.359 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -164.75 152.54 10.33 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.737 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 122.95 9.61 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.235 . . . . 0.0 112.293 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.32 -18.79 40.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.053 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -69.39 -13.49 62.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -95.08 -4.46 46.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.0 m -130.63 -178.06 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.2 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.477 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.738 0.224 . . . . 0.0 112.327 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.6 mt -109.96 161.66 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -116.63 123.14 46.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.8 m -129.59 145.55 35.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.4 m -99.49 121.93 41.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . -60.86 112.61 2.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.4 mt -69.67 -35.52 75.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -138.93 166.35 24.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.1 p -73.47 159.21 33.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.839 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 75.6 t80 -155.77 158.77 38.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 8.3 mt-10 -143.35 107.03 4.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -108.62 -177.47 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.7 tp -120.63 147.91 44.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -110.18 122.85 48.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 53.9 p90 -142.0 172.21 12.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -129.43 159.99 34.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.9 104.39 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 22' ' ' ALA . . . 121.96 -28.51 5.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.52 127.56 31.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.831 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.1 mmm-85 -80.75 126.29 31.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.2 mt -110.67 122.81 65.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.0 m -79.33 97.23 6.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 17' ' ' PRO . 51.5 t -63.06 113.11 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.1 pt -97.04 -37.28 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 t -142.89 110.2 5.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.498 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 13.0 pttm -128.55 179.65 5.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.0 p -125.62 -179.12 4.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.162 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.61 -62.58 1.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.6 t -58.15 142.53 46.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.427 ' CE1' ' CE2' ' A' ' 52' ' ' PHE . 10.3 p80 -82.4 -56.82 3.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.427 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 25.2 m-85 -36.98 -41.53 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -55.65 165.1 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.545 ' CH2' ' HD3' ' A' ' 67' ' ' PRO . 11.5 m95 -92.51 139.39 30.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.498 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.6 m0 -111.24 170.93 7.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -118.99 112.29 19.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.14 -177.12 14.78 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -127.42 138.14 52.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.481 ' CD1' ' HG2' ' A' ' 60' ' ' ARG . 5.3 tp -142.29 128.07 19.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.914 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.481 ' HG2' ' CD1' ' A' ' 59' ' ' LEU . 16.3 mmm-85 44.32 54.23 6.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.84 42.67 99.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -133.14 167.28 20.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.7 m -146.77 137.3 23.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 179.24 173.92 44.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.501 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.6 pt -99.79 147.38 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 111.131 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.482 ' HA ' ' CE3' ' A' ' 54' ' ' TRP . 49.4 p90 -157.24 152.62 21.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.653 0.739 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.545 ' HD3' ' CH2' ' A' ' 54' ' ' TRP . 53.7 Cg_endo -69.82 121.5 8.17 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.628 2.219 . . . . 0.0 112.344 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.51 -20.46 46.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -68.72 -11.69 60.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -96.02 -2.52 46.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.5 m -130.36 176.35 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.162 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -50.98 135.86 23.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 110.84 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.6 p -115.81 158.46 22.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.22 -79.52 1.33 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -128.84 101.5 6.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.871 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -147.43 156.43 42.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.67 179.24 48.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -129.56 40.05 3.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.741 0.305 . . . . 0.0 110.83 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -91.22 89.6 7.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.1 ttp85 -152.71 158.71 42.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.27 133.41 31.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.91 120.28 2.66 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -99.85 122.2 42.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.14 87.27 2.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -71.45 -28.44 63.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -158.93 144.6 12.1 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.59 0.71 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -178.51 2.38 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mt -118.11 153.49 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -109.68 122.9 48.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.4 m -128.5 147.45 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.2 m -104.0 116.97 33.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.91 112.05 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.8 mt -70.09 -30.43 67.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -142.41 157.97 44.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.9 m -72.77 154.58 40.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.914 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 81.5 t80 -149.44 148.55 29.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -129.18 102.32 6.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.01 109.92 1.92 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -63.42 -30.67 71.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.76 0.314 . . . . 0.0 110.893 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -103.75 159.27 29.83 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.636 0.732 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -19.08 36.76 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.694 2.263 . . . . 0.0 112.385 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.35 -14.48 68.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -78.87 -175.28 4.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.831 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.1 tp -120.31 153.18 36.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -118.02 117.63 29.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.556 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 42.9 p90 -141.3 176.13 9.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -138.45 152.2 48.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.09 105.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.07 -35.97 3.22 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.48 127.46 32.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.9 mmm-85 -81.65 129.11 34.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.513 HG23 ' CE1' ' A' ' 66' ' ' PHE . 14.9 mt -111.0 128.74 67.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.9 m -82.19 101.9 10.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.4 t -67.62 106.94 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.7 pt -94.87 -38.16 8.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 t -143.24 105.33 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.532 ' HE3' ' CZ2' ' A' ' 55' ' ' TRP . 11.0 ptmt -130.59 170.01 14.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 60.8 p -112.96 175.94 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -89.4 44.36 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.2 m -146.57 132.14 18.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 53.0 m80 -80.43 -27.73 37.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -89.51 46.84 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -149.98 165.19 33.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -91.59 133.3 35.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.543 ' CZ3' ' HB1' ' A' ' 68' ' ' ALA . 51.3 m0 -110.39 174.11 6.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 56.0 tt0 -120.18 112.05 18.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -124.68 -176.17 14.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -130.08 133.97 47.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.322 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.8 tp -143.39 145.34 32.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 41.56 45.11 2.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.42 37.29 94.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -132.45 175.72 9.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.919 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.7 m -147.44 140.75 25.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.09 177.05 48.31 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.2 pt -99.76 148.6 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.88 0.371 . . . . 0.0 111.12 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.513 ' CE1' HG23 ' A' ' 42' ' ' ILE . 50.1 p90 -159.35 152.41 18.37 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.673 0.749 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 122.97 9.65 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.543 ' HB1' ' CZ3' ' A' ' 55' ' ' TRP . . . -58.54 -25.63 62.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.074 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -64.38 -11.41 32.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -96.97 2.05 51.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.9 m -133.37 -179.46 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.2 t -151.09 152.3 33.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 7.9 mtt -87.09 114.35 23.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -111.16 117.84 34.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.5 p -133.9 156.53 47.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.83 -158.29 1.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 121.97 8.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.8 p -83.85 -31.43 25.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.5 t -98.89 -43.02 6.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.826 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m -85.99 158.09 19.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 0.0 110.839 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.5 t -166.96 139.11 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.17 76.82 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.1 p -98.8 94.55 6.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.8 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.8 p -154.84 167.14 31.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.99 65.71 0.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.487 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -134.83 81.63 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.734 0.302 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -54.8 100.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -63.85 148.57 49.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.8 t -61.32 -44.96 99.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.92 -166.36 15.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -91.11 138.19 31.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.98 101.19 6.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.75 -38.89 45.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -148.62 147.01 23.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.553 0.692 . . . . 0.0 110.946 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -175.09 1.04 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.707 2.271 . . . . 0.0 112.343 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.6 mt -121.28 147.66 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -100.75 123.18 44.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.0 m -128.34 139.87 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.5 m -97.74 121.33 39.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.98 111.96 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.128 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.3 mt -67.42 -32.4 73.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -142.28 168.41 19.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.982 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 80.7 p -77.2 150.91 35.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.552 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 79.7 t80 -150.83 154.9 38.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -142.64 109.36 5.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.98 102.65 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -76.58 -26.23 54.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.72 0.295 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -102.53 155.53 36.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.555 0.693 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 109.91 2.43 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.729 2.286 . . . . 0.0 112.347 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.39 -24.26 6.24 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.509 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.88 179.84 0.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.857 0.36 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 tp -120.07 143.41 48.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -108.26 127.71 54.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.552 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 41.5 p90 -141.66 179.37 6.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 -133.86 154.76 50.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.67 103.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.32 -29.81 5.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.53 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.32 127.89 33.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 0.0 110.832 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -81.27 130.73 35.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.454 HG22 ' CE1' ' A' ' 66' ' ' PHE . 15.7 mt -111.9 131.04 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.2 m -83.02 96.71 8.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.55 110.99 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.136 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.2 pt -97.35 -38.0 7.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.3 t -142.82 114.2 7.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HE3' ' CZ2' ' A' ' 55' ' ' TRP . 17.8 ptmt -130.45 164.92 23.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.8 p -110.16 176.83 4.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -88.09 60.34 5.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.5 t -169.86 142.49 2.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -75.91 -64.18 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -43.52 -52.97 5.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -42.92 155.8 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -91.39 141.85 28.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.532 ' CZ3' ' HB1' ' A' ' 68' ' ' ALA . 50.8 m0 -112.76 173.42 6.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -122.06 115.78 23.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -127.71 -178.22 15.23 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -127.19 132.46 50.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.8 tp -143.06 144.28 32.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 43.34 46.41 5.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.41 42.23 97.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.5 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -138.04 168.68 19.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.379 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.7 m -138.36 137.99 37.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.179 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -178.89 172.38 44.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.8 pt -97.2 155.87 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 111.184 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.454 ' CE1' HG22 ' A' ' 42' ' ' ILE . 49.7 p90 -164.31 152.28 10.78 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.665 0.745 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 122.99 9.64 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.614 2.209 . . . . 0.0 112.353 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.532 ' HB1' ' CZ3' ' A' ' 55' ' ' TRP . . . -59.7 -16.13 24.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -72.11 -13.37 61.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -94.82 -4.73 46.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.6 m -130.08 177.31 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.5 t -151.06 163.87 37.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 43.4 mtm -113.37 101.71 9.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -134.22 43.75 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 79.6 p -111.27 175.1 5.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -125.19 163.04 19.33 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 86.75 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.389 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 77.7 p -115.62 171.2 7.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.5 m -87.35 99.52 12.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.828 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p -167.37 128.31 1.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.867 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -172.44 171.45 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.82 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.27 164.54 10.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.509 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -55.59 166.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.908 0.385 . . . . 0.0 110.811 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 t -79.16 -60.14 2.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.849 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.59 44.05 53.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.522 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -104.72 98.99 8.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.745 0.307 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -167.25 120.98 0.98 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -129.67 143.05 50.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.1 m -69.52 -30.75 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.104 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.3 167.84 18.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -103.92 127.34 51.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -107.69 90.36 3.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -69.43 -32.12 70.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -157.55 149.26 17.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.52 0.676 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -179.41 2.89 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.702 2.268 . . . . 0.0 112.339 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.4 mt -121.12 144.59 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -101.16 124.02 46.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.8 m -128.92 144.24 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.2 m -99.98 118.27 36.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.61 118.89 7.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 73.2 mt -72.73 -35.47 67.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -136.81 157.46 46.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.1 t -70.22 162.15 28.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 61.5 t80 -160.26 157.56 28.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.4 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 11.4 mt-10 -140.67 106.98 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.2 102.54 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.544 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -64.54 -32.66 74.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 0.0 110.89 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -94.02 155.79 39.81 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.598 0.713 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 2.89 3.15 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -122.95 16.91 8.18 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -105.11 -178.19 3.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.786 0.326 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.4 tp -120.36 143.97 48.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -110.79 124.55 52.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 35.2 p90 -140.62 -179.87 6.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -132.71 165.74 23.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.96 104.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.82 -1.77 25.91 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.28 126.61 32.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.818 0.342 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -76.4 124.85 28.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.9 mt -111.96 116.41 52.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.8 m -70.92 94.31 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.05 109.97 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.3 pt -94.82 -39.56 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.3 t -140.54 113.25 8.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.508 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 26.7 pttt -137.73 167.56 21.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.1 p -114.79 177.31 4.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.181 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -83.75 39.85 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.3 p -150.52 124.07 9.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.4 ' CG ' ' H ' ' A' ' 52' ' ' PHE . 7.3 p80 -70.89 -59.02 3.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.4 ' H ' ' CG ' ' A' ' 51' ' ' HIS . 1.9 t80 -39.98 -37.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.98 161.39 26.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -87.47 138.15 31.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.508 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.4 m0 -112.45 170.15 8.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -118.14 116.52 27.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.05 -176.39 14.43 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.542 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -130.58 132.54 45.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.2 tp -144.03 144.16 31.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 44.98 42.85 6.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.49 37.37 94.58 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -133.01 171.59 13.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 m -141.78 139.92 32.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.68 173.34 45.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.9 pt -97.0 151.33 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -160.36 152.39 16.89 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.629 0.728 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 122.22 8.9 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.25 . . . . 0.0 112.319 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.49 -30.28 64.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -58.69 -14.23 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -96.84 11.09 37.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.9 m -143.48 172.22 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.119 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.3 t -140.33 155.71 46.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 65.6 mtm -99.37 37.49 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -133.29 142.59 48.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.0 p -123.06 162.79 21.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.66 163.06 9.66 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 86.08 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.703 2.269 . . . . 0.0 112.342 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.8 p -82.06 165.22 20.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.1 m -106.65 -52.88 2.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 70.62 41.94 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.7 p -76.83 148.56 36.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.45 -168.25 1.54 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.462 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -161.78 105.83 1.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.915 0.388 . . . . 0.0 110.809 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -127.59 157.12 41.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.1 82.93 0.32 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -86.79 140.64 29.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.759 0.314 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -75.23 134.15 41.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -131.65 164.11 26.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 p -46.1 126.04 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.75 -153.85 27.56 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -156.17 138.38 14.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 tp -124.69 35.84 4.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -41.12 -35.82 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -128.24 149.23 70.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.604 0.716 . . . . 0.0 110.85 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 167.44 24.43 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.365 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.8 mt -118.59 149.94 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -104.57 122.13 44.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.5 m -124.96 148.94 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.3 m -104.44 112.79 25.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.31 112.55 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.3 mt -71.31 -31.23 67.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -143.0 160.35 40.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.7 p -71.75 161.41 31.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 62.0 t80 -161.18 153.04 19.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -138.15 106.73 5.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.3 102.0 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -76.75 -23.52 53.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.714 0.293 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -107.93 157.6 35.66 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.611 0.719 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 117.86 5.33 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.711 2.274 . . . . 0.0 112.37 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 117.87 -25.53 8.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.452 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.2 -176.95 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.843 0.354 . . . . 0.0 110.826 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 23.3 tp -122.03 153.85 38.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -114.62 121.61 43.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 45.0 p90 -142.85 175.91 9.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -136.7 157.58 46.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.02 104.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.46 -32.2 4.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.46 131.86 51.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.424 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 1.8 mpp_? -85.32 121.09 27.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.436 HG22 ' CE1' ' A' ' 66' ' ' PHE . 17.5 mt -103.71 120.29 53.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.6 m -76.79 97.55 4.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.168 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.29 111.69 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.9 pt -98.0 -38.72 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 t -142.51 113.27 7.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.49 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 18.2 pttm -130.02 175.15 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 79.5 p -118.22 -179.59 3.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -87.06 44.08 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.6 m -162.27 135.22 5.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -78.47 -50.73 11.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -44.64 -39.79 5.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -66.83 166.31 13.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -92.43 139.06 30.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.49 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.5 m0 -111.52 170.37 8.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.956 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -115.43 113.15 23.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.47 -175.08 14.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.9 mtpt -132.86 134.51 44.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.321 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.9 tp -143.51 146.83 33.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 40.69 46.65 2.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.73 39.25 96.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.519 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -135.68 174.38 10.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.4 m -144.32 141.47 29.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 179.43 170.41 41.18 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.9 pt -92.61 153.25 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.807 0.337 . . . . 0.0 111.175 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.436 ' CE1' HG22 ' A' ' 42' ' ' ILE . 51.1 p90 -163.74 152.41 11.73 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.659 0.742 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 121.58 8.27 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.636 2.224 . . . . 0.0 112.367 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.98 -24.76 63.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.089 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -64.36 -12.23 40.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -98.13 5.53 48.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.6 m -137.47 172.82 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.4 t -139.52 130.67 26.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 62.5 mtm -84.22 82.43 8.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -86.9 108.08 18.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.7 m -95.99 99.05 10.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.96 149.06 16.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -176.34 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.704 2.27 . . . . 0.0 112.388 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.5 t -113.43 128.09 56.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.3 t -103.54 103.08 12.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.516 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 t -99.3 148.25 24.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.841 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -94.02 119.32 32.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.07 113.29 0.96 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -48.23 150.59 1.2 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.359 . . . . 0.0 110.883 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 t -133.32 139.17 46.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.0 103.67 1.26 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.498 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -76.94 124.1 27.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.689 0.281 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -115.26 92.89 4.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -84.13 148.22 26.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.411 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 11.0 p -171.7 105.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.8 -163.95 23.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.479 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -172.71 128.8 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.907 0.384 . . . . 0.0 110.889 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -115.95 84.54 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -46.07 -31.26 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -157.74 145.5 13.83 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.625 0.726 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 168.61 21.05 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 2.259 . . . . 0.0 112.326 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mt -115.2 147.54 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -110.39 124.57 51.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.8 m -127.1 153.02 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.4 m -108.09 112.01 24.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.92 114.98 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.2 mt -70.07 -35.32 74.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -138.55 176.5 8.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.9 p -80.32 163.08 24.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.498 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 12.2 t80 -158.91 140.54 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -130.76 101.43 5.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.23 110.77 2.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.458 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -60.89 -30.89 70.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.686 0.279 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.416 ' HA ' ' NE2' ' A' ' 30' ' ' GLN . 6.1 mm-40 -106.28 161.0 24.21 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.605 0.717 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -20.52 34.85 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.233 . . . . 0.0 112.385 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.68 -18.34 70.79 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.444 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.0 179.4 7.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.415 ' O ' ' CE1' ' A' ' 26' ' ' PHE . 10.5 tp -121.0 141.38 50.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -108.72 121.41 44.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.498 ' CZ ' ' CB ' ' A' ' 26' ' ' PHE . 42.6 p90 -137.55 174.25 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -129.44 157.55 41.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.52 101.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.32 -34.2 3.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.49 130.07 43.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.762 0.315 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -80.87 132.86 35.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.402 HG22 ' CE1' ' A' ' 66' ' ' PHE . 16.7 mt -115.99 119.66 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 93.1 m -74.81 102.24 4.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.1 t -68.62 125.23 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 pt -112.23 -37.04 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.4 t -141.67 106.57 4.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.519 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -139.27 169.37 17.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.1 p -113.07 177.82 4.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -89.54 47.26 1.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -149.2 123.22 9.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -72.16 -26.83 62.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -88.75 48.95 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -153.19 157.62 40.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -84.17 129.18 34.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.519 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.1 m0 -109.53 176.32 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -122.41 115.44 22.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.24 177.7 17.79 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.9 mtpt -123.11 141.09 52.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 35.3 tp -142.96 129.31 19.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.5 mtt-85 47.84 32.41 2.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.82 -27.25 11.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -71.72 161.03 31.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -140.36 150.03 43.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 173.39 -179.32 44.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.0 pt -100.49 154.79 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.402 ' CE1' HG22 ' A' ' 42' ' ' ILE . 48.5 p90 -165.09 152.37 9.71 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.688 0.756 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 121.5 8.18 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.314 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.495 ' HB1' ' CZ3' ' A' ' 55' ' ' TRP . . . -57.36 -19.03 20.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -68.64 -14.29 62.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -95.71 6.02 49.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.08 176.95 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.174 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.7 t -141.63 140.1 33.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 29.3 mtm -86.82 118.4 26.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -126.33 116.56 21.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.6 m -124.91 39.16 4.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 122.8 146.04 7.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -179.44 2.88 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.731 2.287 . . . . 0.0 112.358 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.4 t -119.32 143.97 47.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.0 m -38.66 -45.88 1.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.5 m -123.17 141.06 52.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 m -90.45 135.74 33.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.04 -126.17 2.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.455 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.9 p -90.38 131.28 36.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -59.46 -60.71 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.35 -96.76 0.73 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -49.12 172.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.767 0.318 . . . . 0.0 110.826 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -91.63 150.67 21.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -104.32 169.15 8.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.5 p -38.89 151.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -145.29 -52.5 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.522 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.08 -175.05 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER 75.04 38.28 0.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -42.4 -25.66 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -160.52 146.8 11.66 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -174.16 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.365 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 mt -127.11 158.22 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -113.81 122.8 48.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.7 m -127.74 149.69 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.3 m -105.24 117.91 35.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.02 112.75 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.4 mt -67.19 -33.99 76.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -139.93 170.78 15.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.1 p -74.68 167.02 22.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 52.8 t80 -161.94 153.17 18.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -140.64 107.59 5.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.8 102.68 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -62.01 -34.0 75.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.724 0.297 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -99.28 160.06 28.51 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.7 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -0.07 6.39 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 0.0 112.353 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -118.98 24.61 8.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.538 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.84 -175.35 2.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.823 0.344 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.0 tp -119.92 154.78 33.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -118.5 117.67 29.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 47.8 p90 -139.95 175.88 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -134.32 160.83 36.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.34 103.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.42 -32.49 4.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.5 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.74 130.02 44.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.61 130.58 35.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.476 HG21 ' CE1' ' A' ' 66' ' ' PHE . 19.7 mt -113.59 123.61 69.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.2 m -74.31 102.72 4.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.5 t -69.94 110.22 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.3 pt -97.78 -39.2 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -135.85 116.5 13.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.507 ' HE3' ' CZ2' ' A' ' 55' ' ' TRP . 11.3 ptmt -149.04 -175.38 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.08 154.53 38.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.4 -39.89 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.881 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.0 p -72.49 119.81 17.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.422 ' HA ' ' CZ2' ' A' ' 55' ' ' TRP . 9.0 p-80 -79.88 -40.35 28.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -44.37 -44.25 8.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.27 172.2 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -95.97 136.17 36.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.507 ' CZ2' ' HE3' ' A' ' 47' ' ' LYS . 54.9 m0 -109.65 169.06 8.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -121.25 120.14 34.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -126.28 179.49 16.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.468 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 mtpp -129.24 133.67 47.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.0 tp -145.56 142.83 29.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.966 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 47.52 41.68 13.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.06 39.06 97.57 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -134.98 167.65 20.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.923 0.392 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -137.36 138.46 39.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -173.82 171.9 44.86 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.435 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.7 pt -99.87 155.61 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.368 . . . . 0.0 111.095 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.476 ' CE1' HG21 ' A' ' 42' ' ' ILE . 50.9 p90 -167.42 152.57 6.95 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.624 0.726 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 121.61 8.3 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.355 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.421 ' HB1' ' CZ3' ' A' ' 55' ' ' TRP . . . -59.24 -17.14 25.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -69.22 -16.25 63.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -89.26 -10.76 45.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.2 m -120.84 172.91 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.8 t -136.38 156.4 48.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 12.9 mmm -102.69 45.57 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -89.27 99.03 12.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.3 m -59.85 172.29 0.77 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 54.29 -158.21 5.77 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 161.74 44.73 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.36 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.5 m -116.42 161.47 19.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.9 t -47.09 -54.31 10.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.857 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 m -78.99 130.18 35.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.895 0.379 . . . . 0.0 110.909 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -149.12 119.23 7.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.39 123.52 7.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -67.56 -62.16 1.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t 63.92 42.06 6.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.65 91.66 0.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -154.51 127.23 8.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.777 0.323 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -161.48 139.28 9.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -122.28 120.62 34.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.3 p -65.36 124.98 21.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 58.05 -121.45 26.09 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -121.71 139.43 53.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.427 ' CD1' ' O ' ' A' ' 45' ' ' ILE . 1.8 tt -114.82 40.27 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 14' ' ' LEU . 5.0 m-20 -35.6 -39.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -163.56 152.04 11.68 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.596 0.712 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -176.19 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.638 2.225 . . . . 0.0 112.334 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.464 ' CD1' ' HE3' ' A' ' 47' ' ' LYS . 5.0 mt -127.58 151.12 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.07 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -108.12 124.75 50.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.9 m -131.09 154.05 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.196 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.3 m -108.4 120.48 42.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.08 105.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.02 -32.06 72.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -137.28 170.31 16.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.4 p -76.11 167.27 22.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.549 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 17.9 t80 -163.92 142.51 7.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -135.14 105.71 6.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.73 112.98 5.27 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -61.25 -30.27 70.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.708 0.289 . . . . 0.0 110.907 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -106.38 159.93 28.04 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.576 0.703 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -17.81 37.43 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.319 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.55 -17.5 66.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -81.09 -176.7 6.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.894 0.378 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.3 tp -121.35 143.49 49.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -111.47 120.75 43.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.549 ' CZ ' ' CB ' ' A' ' 26' ' ' PHE . 52.2 p90 -139.28 174.67 10.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -132.38 163.86 27.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.03 103.07 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.73 -33.9 3.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -55.8 132.71 50.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.771 0.32 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.03 130.82 34.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.2 mt -112.57 116.88 53.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.5 m -74.55 95.66 2.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.85 118.03 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.427 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 3.6 pt -104.43 -38.07 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 t -146.55 110.96 5.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.49 ' HB2' ' CG ' ' A' ' 55' ' ' TRP . 12.3 pttp -126.76 -177.71 4.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.9 p -123.33 -179.22 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -89.05 43.22 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.4 m -159.2 135.07 8.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -74.54 -63.15 1.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -38.64 -40.54 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.78 166.52 2.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.841 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -95.67 136.86 35.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.553 ' CZ3' ' HB3' ' A' ' 68' ' ' ALA . 54.8 m0 -111.34 172.43 6.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -118.77 113.34 20.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.56 -177.7 15.0 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -128.83 139.62 52.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.7 tp -141.56 129.47 21.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.5 mtp85 46.41 32.28 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.13 -28.56 10.4 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -69.13 156.92 37.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.8 m -138.78 143.82 39.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.57 -176.96 48.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.467 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.3 pt -99.15 156.49 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.372 . . . . 0.0 111.101 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -167.66 151.56 6.15 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.678 0.751 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 122.63 9.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.37 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.553 ' HB3' ' CZ3' ' A' ' 55' ' ' TRP . . . -64.04 -11.24 27.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.084 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -75.12 -15.29 60.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -89.5 -10.04 47.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.4 m -121.38 173.52 7.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.6 t -138.23 165.78 25.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.8 mtm -118.88 84.54 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -92.13 -51.3 5.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.3 m -82.63 111.85 18.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.58 -158.2 23.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -3.35 11.85 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.0 t -104.71 99.56 9.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.4 t -96.17 118.44 32.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t -142.48 119.12 11.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.37 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -71.49 139.94 49.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.43 170.34 42.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -149.43 146.84 27.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 110.854 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 t -150.07 115.44 5.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.58 158.78 31.34 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -105.69 -45.24 4.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.794 0.33 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -92.37 80.88 4.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -81.3 129.64 34.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 85.1 t -44.61 108.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 52.04 97.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.449 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -53.43 167.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.457 ' N ' HD23 ' A' ' 14' ' ' LEU . 3.5 mm? -112.37 115.63 29.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -72.67 -31.24 64.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -170.29 144.01 2.03 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.564 0.697 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 177.52 5.52 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.627 2.218 . . . . 0.0 112.318 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.5 mt -118.79 157.58 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -113.34 123.07 49.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.6 m -130.26 146.26 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.0 m -101.81 117.29 34.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.86 105.24 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.8 mt -61.69 -31.09 71.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -139.95 160.99 38.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.7 t -73.67 162.94 28.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.82 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 66.4 t80 -159.22 164.39 35.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.51 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 36.3 mt-10 -150.87 112.13 4.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.63 115.87 5.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.482 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 27' ' ' GLU . 14.9 mp0 -88.36 -27.91 21.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.923 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -99.52 157.91 33.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.624 0.726 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 108.24 2.04 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.676 2.251 . . . . 0.0 112.331 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.39 -30.07 4.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -57.85 176.83 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.36 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.4 tp -121.54 141.66 50.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -105.94 127.66 53.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 31.8 p90 -141.29 -178.7 5.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -136.79 152.43 50.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.54 104.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.102 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.61 -33.7 4.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -58.22 132.91 54.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.755 0.312 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -82.98 123.62 29.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.463 HD12 ' CG ' ' A' ' 36' ' ' PHE . 19.3 mt -106.03 111.2 34.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.3 m -67.3 97.64 0.56 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.0 t -64.82 114.73 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.5 pt -102.72 -39.29 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.7 t -140.29 105.15 4.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.5 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -131.79 166.6 21.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.88 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.5 p -116.59 174.09 6.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.09 44.7 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.9 m -142.73 116.3 9.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 27.6 p-80 -64.81 -38.55 91.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.816 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -68.49 -43.47 76.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -55.77 161.74 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -92.88 139.78 30.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.5 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 52.5 m0 -112.18 171.06 7.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -120.82 115.18 22.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.83 -175.94 14.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -127.3 138.04 52.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.868 0.366 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.9 tp -138.34 128.32 25.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 46.99 34.79 2.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.87 -28.73 8.87 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -67.55 162.96 22.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.858 0.361 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 64' ' ' GLY . 12.0 m -143.5 144.5 32.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.403 ' N ' HG22 ' A' ' 63' ' ' THR . . . 175.01 -179.59 46.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.5 pt -97.82 158.0 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 111.105 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.456 ' CE2' ' CG2' ' A' ' 42' ' ' ILE . 41.1 p90 -166.17 152.61 8.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.641 0.734 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 121.49 8.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.353 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.43 -26.97 55.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -61.76 -13.51 24.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -97.41 12.56 32.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.1 m -145.36 177.37 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.8 t -145.56 141.1 27.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.2 ttm -91.23 42.21 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -65.54 119.39 10.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.1 t -96.18 100.59 12.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.19 -158.14 27.19 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 97.08 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.664 2.243 . . . . 0.0 112.308 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.3 m -73.37 126.83 31.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 83.7 p -123.97 125.24 44.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t 68.65 42.51 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 0.0 110.826 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.7 m -104.75 127.48 52.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.91 -177.67 27.89 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.4 p -105.49 99.66 9.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.912 0.387 . . . . 0.0 110.873 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 p -68.32 -6.26 23.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.82 162.51 9.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -159.61 177.52 10.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.738 0.304 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -156.08 161.05 40.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -97.9 133.21 42.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.7 t -118.11 126.25 74.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.5 159.7 35.84 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.464 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -112.76 155.49 24.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.36 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.461 ' CD1' ' C ' ' A' ' 14' ' ' LEU . 1.1 tm? -122.18 101.72 7.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -77.63 -40.93 40.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.437 ' N ' HD13 ' A' ' 14' ' ' LEU . 73.6 mt-30 -145.77 150.76 44.13 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.59 0.709 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 177.63 5.34 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.695 2.263 . . . . 0.0 112.368 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mt -119.3 159.64 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.123 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -115.26 124.69 51.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.7 m -131.71 157.85 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.5 m -111.16 122.11 47.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.52 105.42 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.078 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.8 mt -61.77 -33.45 74.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -139.38 155.9 47.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.4 m -69.2 158.56 34.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 79.6 t80 -151.44 162.31 41.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.464 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 40.7 mt-10 -143.06 105.4 4.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -48.67 101.65 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -65.4 -34.08 77.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.729 0.3 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -93.3 156.78 39.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.573 0.702 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 2.57 3.41 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.249 . . . . 0.0 112.377 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -126.41 28.03 4.86 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -108.26 -174.99 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.9 tp -119.92 147.02 45.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -108.04 118.08 35.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 55.2 p90 -141.2 161.83 36.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -123.17 161.37 24.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.93 104.29 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.57 -34.34 3.82 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.83 131.44 50.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.342 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -82.44 130.55 35.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.565 HG21 ' CE1' ' A' ' 66' ' ' PHE . 18.9 mt -111.18 118.89 58.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.5 m -71.87 98.74 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 47' ' ' LYS . 59.5 t -67.51 111.49 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.3 pt -96.94 -38.58 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 t -143.05 105.49 4.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.512 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 13.9 pttm -121.3 177.26 5.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.3 p -126.89 172.77 10.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -62.75 -59.98 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.8 m -57.02 143.82 36.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 52' ' ' PHE . 22.2 m-70 -83.75 -63.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 51' ' ' HIS . 30.6 m-85 -35.7 -39.98 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -54.51 161.16 1.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -91.34 139.87 30.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.563 ' CZ3' ' HB3' ' A' ' 68' ' ' ALA . 54.8 m0 -112.11 174.37 5.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -120.87 112.44 18.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -124.56 -178.25 15.28 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -130.15 132.34 46.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.821 0.343 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.7 tp -141.95 144.29 33.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 44.01 47.68 7.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.08 37.98 92.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -134.23 172.5 12.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.913 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 m -142.75 139.33 31.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -176.61 176.25 47.83 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.519 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.0 pt -98.72 155.6 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.886 0.374 . . . . 0.0 111.141 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.565 ' CE1' HG21 ' A' ' 42' ' ' ILE . 50.5 p90 -168.07 152.09 6.03 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.628 0.728 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 121.48 8.17 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.355 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.563 ' HB3' ' CZ3' ' A' ' 55' ' ' TRP . . . -61.91 -11.26 12.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -71.69 -22.9 61.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -87.52 -5.4 58.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.5 m -123.65 170.21 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.159 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.7 t -129.9 154.34 47.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 13.9 tpp -116.75 96.99 5.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -134.19 105.18 6.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.1 m -111.82 102.36 10.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -174.09 154.71 20.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.442 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -15.63 37.21 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.683 2.256 . . . . 0.0 112.355 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 t -105.87 151.02 25.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.0 t -97.41 -58.89 1.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.485 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.5 p -149.04 160.39 43.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -151.08 123.76 8.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.69 -168.95 39.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.6 p -147.53 167.72 23.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 110.837 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.5 p -129.95 126.12 37.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.1 168.9 40.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.453 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -95.06 151.47 19.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.77 0.319 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -103.45 142.31 34.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 12' ' ' GLY . 7.8 ptm180 -117.32 84.59 2.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' ARG . 10.0 p 36.22 34.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 10' ' ' ARG . . . -127.57 88.27 0.33 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.479 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -80.54 127.05 32.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -111.66 89.82 3.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -69.32 -37.88 77.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -150.17 151.15 31.17 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.596 0.712 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -179.67 3.08 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mt -117.8 153.5 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.161 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -112.48 127.31 56.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.2 m -135.83 149.64 28.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.3 m -106.17 117.72 34.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.88 109.76 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.088 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.0 mt -64.84 -33.69 76.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -140.81 169.88 16.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 96.4 p -75.0 166.25 23.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 52.1 t80 -162.84 157.39 21.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -140.78 105.42 4.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -48.73 102.51 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -68.11 -35.29 77.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.788 0.328 . . . . 0.0 110.938 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -88.77 157.63 48.84 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.584 0.707 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 1.52 4.37 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.668 2.245 . . . . 0.0 112.365 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -127.52 24.67 5.21 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.493 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -101.04 -176.73 3.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.85 0.357 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.8 tp -120.08 148.99 42.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -112.94 119.06 36.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 51.5 p90 -140.58 177.41 8.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -137.23 153.78 50.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.4 104.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.08 -31.81 4.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.84 127.19 30.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.7 mmt-85 -78.07 137.73 38.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.483 HG23 ' CE2' ' A' ' 66' ' ' PHE . 19.6 mt -118.66 118.6 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.5 m -74.25 94.52 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.07 117.4 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.6 pt -102.41 -38.43 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.9 t -141.38 107.05 5.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.521 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -135.37 162.36 32.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 58.7 p -108.26 172.26 6.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -61.03 -46.43 90.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.4 m -63.32 145.69 55.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 30.8 p-80 -90.88 -56.11 3.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -40.44 -42.92 1.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.37 159.33 4.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.404 ' CE3' HD12 ' A' ' 65' ' ' ILE . 11.5 m0 -85.55 143.12 28.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.521 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.8 m0 -116.13 171.29 7.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -118.55 113.57 21.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.86 -178.14 15.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.53 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.4 mtpt -128.32 138.28 52.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.1 tp -143.69 128.39 18.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 49.19 32.37 4.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.82 -25.67 13.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.503 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -73.23 148.6 43.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.899 0.381 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.2 m -130.71 143.02 50.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.21 173.73 43.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.444 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.404 HD12 ' CE3' ' A' ' 54' ' ' TRP . 12.0 pt -92.32 156.75 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.392 . . . . 0.0 111.058 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.483 ' CE2' HG23 ' A' ' 42' ' ' ILE . 48.6 p90 -165.96 152.57 8.74 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.666 0.746 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 121.46 8.15 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.43 ' HB2' ' CZ3' ' A' ' 55' ' ' TRP . . . -59.27 -23.91 62.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -64.32 -12.63 43.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -95.25 0.5 53.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.1 m -134.29 168.2 24.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.7 t -134.08 146.56 50.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -100.76 91.41 4.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -90.05 157.14 17.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 89.1 p -164.45 166.74 20.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.56 147.0 15.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.435 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 112.59 3.12 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.273 . . . . 0.0 112.362 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.6 m 38.04 42.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.4 t -78.05 109.4 12.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 t -69.21 170.5 10.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 110.87 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -63.93 124.8 22.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.24 129.6 8.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -92.84 102.99 15.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.875 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.0 m -136.19 111.45 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.05 -126.1 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.527 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.7 p-80 -113.64 82.41 1.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -90.43 89.43 7.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.7 mmt-85 -105.62 43.92 1.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.448 HG21 ' N ' ' A' ' 12' ' ' GLY . 28.3 m -70.53 -43.52 77.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.448 ' N ' HG21 ' A' ' 11' ' ' VAL . . . 112.96 132.87 5.76 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -76.92 138.6 39.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.369 . . . . 0.0 110.922 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.574 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -110.94 93.43 4.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 14' ' ' LEU . 2.5 m-80 -35.42 -50.18 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -110.38 144.07 29.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.567 0.699 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 176.02 7.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.36 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.8 mt -123.49 157.28 29.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -114.96 122.32 45.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.4 m -124.9 144.45 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.8 m -99.88 120.44 39.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.178 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . -62.63 111.91 2.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.3 mt -70.18 -29.18 65.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -142.91 156.9 44.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.4 m -71.92 152.47 42.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 79.3 t80 -147.42 162.17 39.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.46 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 29.8 mt-10 -144.55 107.69 4.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.439 ' H ' ' ND2' ' A' ' 35' ' ' ASN . . . -49.4 102.64 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -66.81 -30.47 70.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.72 0.295 . . . . 0.0 110.883 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.407 ' CD ' ' HD2' ' A' ' 31' ' ' PRO . 6.6 mm100 -95.75 158.19 34.76 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.616 0.722 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.407 ' HD2' ' CD ' ' A' ' 30' ' ' GLN . 53.5 Cg_endo -69.76 -2.63 10.5 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.737 2.291 . . . . 0.0 112.332 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -122.83 24.81 6.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -107.21 -177.19 3.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.4 tp -120.18 144.0 47.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.439 ' ND2' ' H ' ' A' ' 28' ' ' GLY . 2.2 m-80 -111.12 122.29 47.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.537 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 49.0 p90 -140.35 174.71 10.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -128.08 159.76 34.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.57 104.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 22' ' ' ALA . . . 125.13 -33.24 3.73 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.56 138.95 57.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 110.841 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.468 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -89.7 127.28 35.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.516 HG21 ' CE2' ' A' ' 66' ' ' PHE . 15.5 mt -108.82 127.59 65.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.6 m -80.22 99.54 7.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.3 t -65.17 115.68 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.7 pt -104.64 -36.26 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.6 t -142.5 107.86 5.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.465 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 4.3 ptmm? -138.33 170.23 16.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.8 p -117.26 -179.4 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -70.16 -43.86 69.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 72.8 m -65.9 146.48 54.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 52' ' ' PHE . 10.9 m170 -88.26 -62.43 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.416 ' C ' ' O ' ' A' ' 51' ' ' HIS . 6.7 t80 -36.5 -40.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -56.0 157.39 4.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -87.58 138.36 31.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.465 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.9 m0 -111.97 173.63 6.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -122.26 116.87 24.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.98 -178.62 15.46 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.479 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -125.7 132.57 52.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.412 ' CD2' ' HB3' ' A' ' 36' ' ' PHE . 15.6 tp -144.92 144.88 31.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 45.23 41.18 5.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.76 35.52 92.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -131.56 173.34 11.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 110.959 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.3 m -143.67 140.33 30.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.15 -176.52 46.98 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.7 pt -105.1 151.57 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 111.107 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.516 ' CE2' HG21 ' A' ' 42' ' ' ILE . 47.5 p90 -161.54 152.56 15.31 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.45 ' HG2' ' CD1' ' A' ' 70' ' ' TYR . 53.8 Cg_endo -69.76 123.01 9.68 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.667 2.245 . . . . 0.0 112.35 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.23 -21.2 59.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -65.33 -16.09 63.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.45 ' CD1' ' HG2' ' A' ' 67' ' ' PRO . 10.3 m-85 -91.71 -1.74 57.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.5 m -131.29 175.34 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.4 t -143.1 130.79 21.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.177 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 19.0 ttp -102.08 45.11 0.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.1 p-10 -99.46 151.39 21.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.0 m -140.64 151.1 44.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -172.19 -158.33 16.11 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 78' ' ' SER . 54.0 Cg_endo -69.71 132.23 22.97 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.34 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 77' ' ' PRO . 7.6 t -34.5 111.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.3 t -140.74 144.62 35.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -95.26 -56.21 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.887 0.375 . . . . 0.0 110.847 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.8 m -73.87 -47.69 36.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.64 96.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.462 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.8 m -70.97 -58.97 3.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.875 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 p -66.73 125.33 25.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.97 43.41 0.55 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.3 p80 -115.22 139.6 49.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.74 0.305 . . . . 0.0 110.836 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -105.75 80.28 1.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.4 ttm-85 -38.7 108.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.7 p -63.71 119.41 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.79 46.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -83.78 104.39 13.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.463 ' N ' HD23 ' A' ' 14' ' ' LEU . 3.6 mm? -91.81 151.79 20.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -116.3 -38.21 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -155.44 142.39 13.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 175.9 7.47 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.682 2.254 . . . . 0.0 112.374 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.7 mt -121.79 146.61 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.149 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -105.04 121.94 44.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.1 m -126.6 149.76 31.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -106.0 121.02 43.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.87 107.97 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 70' ' ' TYR . 61.4 mt -61.56 -30.62 70.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -143.81 166.21 25.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 97.9 p -76.12 157.69 32.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 73.7 t80 -156.45 153.14 28.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -138.96 107.02 5.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -45.8 101.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.475 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -74.4 -26.69 60.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.744 0.306 . . . . 0.0 110.923 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -103.81 156.97 34.87 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.624 0.726 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 118.76 5.88 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.321 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.34 -22.35 12.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.85 -175.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.0 tp -120.13 152.69 37.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -116.52 120.43 38.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 42.3 p90 -142.36 174.11 10.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -130.78 157.86 41.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.71 104.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.47 -35.69 3.65 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.508 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -53.59 128.76 30.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -81.84 128.71 34.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.8 mt -110.77 127.6 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.0 m -80.7 99.13 8.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.47 115.14 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.168 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.2 pt -103.72 -38.05 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -145.13 115.83 7.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.502 ' HB2' ' CG ' ' A' ' 55' ' ' TRP . 12.4 pttp -137.22 178.3 7.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 74.7 p -121.51 171.61 8.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -78.65 47.84 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -163.33 139.71 7.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -81.95 -54.37 5.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -41.87 -39.84 1.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.76 163.71 16.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 12.5 m95 -92.18 136.25 33.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.959 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.502 ' CG ' ' HB2' ' A' ' 47' ' ' LYS . 54.9 m0 -109.76 170.38 8.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -117.43 115.11 24.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -127.9 176.57 17.99 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -124.17 137.25 54.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.761 0.315 . . . . 0.0 110.947 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.432 ' CD1' ' HG2' ' A' ' 60' ' ' ARG . 10.5 tp -141.83 128.7 20.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.432 ' HG2' ' CD1' ' A' ' 59' ' ' LEU . 45.3 mmm-85 45.96 43.58 10.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.64 -24.81 4.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.478 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -73.37 159.7 32.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.917 0.389 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.7 m -146.24 142.16 28.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.51 175.22 45.43 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.6 pt -90.83 152.98 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 0.0 111.154 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -163.56 152.55 12.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.627 0.727 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 122.66 9.36 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.254 . . . . 0.0 112.36 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.432 ' HB2' ' CZ3' ' A' ' 55' ' ' TRP . . . -59.9 -18.75 47.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.096 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.566 ' ND2' ' H ' ' A' ' 69' ' ' ASN . 0.1 OUTLIER -70.3 -14.46 62.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.418 ' O ' ' N ' ' A' ' 23' ' ' LEU . 4.2 m-85 -91.3 -10.15 42.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 m -127.11 -178.18 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.0 t -150.53 136.85 18.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.45 ' O ' ' C ' ' A' ' 74' ' ' ASN . 1.9 ptt? -109.88 29.98 7.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 73' ' ' MET . 1.7 p30 -34.48 139.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 m -94.67 121.8 36.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.809 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 152.51 -157.41 27.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 156.06 64.4 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.8 p -84.57 164.49 18.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.9 t -87.68 144.95 26.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 p -157.39 174.9 14.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.846 0.355 . . . . 0.0 110.865 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.7 p -88.65 123.71 33.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.33 102.32 0.21 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.508 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -137.43 140.76 41.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 110.889 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 t -46.37 123.23 4.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.79 -173.95 33.98 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -130.59 166.58 20.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.319 . . . . 0.0 110.812 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -116.07 176.14 5.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.417 ' NH1' ' HB ' ' A' ' 48' ' ' THR . 25.2 mtt-85 -108.97 106.34 16.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.5 m -106.51 147.26 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.156 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.97 116.74 0.39 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -113.65 111.92 22.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.498 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -103.79 103.07 12.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 14' ' ' LEU . 5.3 m120 -34.71 -59.66 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -105.7 144.16 28.3 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.597 0.713 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.49 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 53.4 Cg_endo -69.85 -172.84 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.304 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mt -121.04 161.94 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -116.16 122.39 44.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.7 m -128.88 141.26 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.7 m -97.0 119.13 34.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.93 108.54 1.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.9 mt -65.44 -28.68 69.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -142.1 169.55 17.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.1 p -77.57 162.97 26.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.582 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 51.1 t80 -151.9 164.89 36.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.516 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 36.9 mt-10 -152.05 110.49 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.68 120.68 23.46 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.458 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.1 mp0 -83.11 -28.7 29.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.763 0.316 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -101.51 160.02 27.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.714 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 2.37 3.61 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.253 . . . . 0.0 112.332 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -124.5 26.1 5.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.53 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -106.21 -175.16 2.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.854 0.359 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.1 tp -122.13 153.7 38.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -119.4 118.88 32.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.582 ' CZ ' ' CB ' ' A' ' 26' ' ' PHE . 53.9 p90 -139.66 175.35 9.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -133.0 164.26 27.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.31 103.67 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.95 -26.95 6.62 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.56 129.1 38.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.741 0.305 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.433 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 1.5 mpp_? -80.47 127.71 32.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.4 mt -109.83 119.36 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.0 m -75.42 97.96 3.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 17' ' ' PRO . 41.9 t -66.44 120.13 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.4 pt -103.95 -36.66 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -144.28 107.19 4.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.514 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -135.91 -177.38 4.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.417 ' HB ' ' NH1' ' A' ' 10' ' ' ARG . 21.4 p -124.28 156.46 36.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -82.43 63.49 6.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.0 m -173.66 133.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -76.54 -178.45 4.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.471 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 74.4 t80 59.17 31.67 21.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -139.16 156.78 46.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 23.4 m95 -87.8 130.52 34.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.528 ' CE3' ' HB1' ' A' ' 68' ' ' ALA . 54.7 m0 -113.34 171.98 7.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -115.57 113.28 23.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -127.38 179.68 16.28 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.495 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -129.16 139.89 51.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 55.6 tp -141.38 128.85 21.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 46.44 35.2 2.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.92 -28.39 8.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -67.54 163.82 20.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.7 m -148.34 142.86 26.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.26 -171.08 41.97 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.529 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.8 pt -107.77 147.45 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 111.121 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -158.12 151.73 19.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.654 0.74 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 123.85 10.48 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.656 2.238 . . . . 0.0 112.307 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.528 ' HB1' ' CE3' ' A' ' 55' ' ' TRP . . . -56.87 -30.79 64.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -59.99 -17.33 37.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -89.78 0.34 57.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 19.2 m -136.01 170.21 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.7 t -134.27 170.19 16.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.1 mtt -130.67 44.1 3.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -59.91 106.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.9 m -92.9 173.33 7.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 77.35 146.29 2.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -8.38 23.46 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.643 2.228 . . . . 0.0 112.371 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.6 t -67.81 161.86 25.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.1 m -134.12 -50.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 p -163.68 122.47 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.343 . . . . 0.0 110.888 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -111.73 109.56 19.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.44 -156.49 22.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.439 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 t -148.23 165.32 31.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 0.0 110.839 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -83.54 80.84 8.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.94 -152.85 5.01 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -40.49 99.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.771 0.319 . . . . 0.0 110.834 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 10' ' ' ARG . 42.1 mm-40 -84.32 96.2 8.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 9' ' ' GLU . 3.9 ptm85 -35.03 122.61 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.839 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.5 m -39.08 137.41 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.12 84.57 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -72.49 143.42 48.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.932 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.08 79.7 1.44 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -61.29 -32.52 72.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -154.83 153.19 27.13 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.602 0.715 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 169.62 18.54 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.65 2.233 . . . . 0.0 112.38 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.6 mt -111.89 151.56 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -113.98 125.79 54.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.1 m -132.13 150.76 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 m -101.82 127.9 48.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.69 113.81 5.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.78 -29.8 67.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -142.17 160.49 40.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.8 m -74.86 154.65 38.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.844 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.561 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 78.3 t80 -152.58 156.83 40.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -142.54 107.92 5.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.85 102.03 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.431 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -73.77 -29.15 62.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.727 0.299 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -100.41 157.33 33.98 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.578 0.704 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 112.44 3.08 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.639 2.226 . . . . 0.0 112.323 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 122.17 -27.77 6.02 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.458 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.82 -179.04 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.816 0.341 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 tp -121.69 139.32 53.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -106.28 121.54 44.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 31.2 p90 -135.35 177.83 7.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -133.81 151.44 51.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.3 104.03 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.43 -35.42 3.61 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.451 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.73 126.96 23.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.784 0.326 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.437 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 2.0 mpp_? -81.0 123.52 28.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.418 HG22 ' CE1' ' A' ' 66' ' ' PHE . 18.6 mt -106.83 123.69 62.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.3 m -80.49 98.55 7.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 47' ' ' LYS . 59.9 t -66.33 117.11 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.6 pt -103.92 -37.0 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -138.46 105.23 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.821 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.515 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 22.1 pttt -133.53 169.62 16.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.5 p -114.26 175.93 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.42 -45.45 87.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.7 p -70.19 149.31 47.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 52' ' ' PHE . 32.8 m80 -91.45 -56.4 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 51' ' ' HIS . 14.8 t80 -36.58 -43.0 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.35 162.13 2.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -88.22 136.64 32.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.515 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.5 m0 -110.1 171.12 7.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -121.86 119.31 31.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -130.62 -171.94 13.02 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -129.78 139.6 51.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.0 tp -145.45 129.06 17.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 47.0 54.1 9.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 57.91 43.65 94.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -137.21 166.56 23.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.924 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.1 m -142.21 138.28 31.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.28 175.45 47.14 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.7 pt -99.72 150.52 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.893 0.378 . . . . 0.0 111.103 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.418 ' CE1' HG22 ' A' ' 42' ' ' ILE . 50.7 p90 -159.91 152.54 17.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.644 0.735 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 121.55 8.24 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.09 -26.37 66.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -64.12 -11.1 26.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -95.78 -6.22 40.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.2 m -124.7 178.63 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.8 t -145.57 161.42 39.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 1.1 tpt -106.68 50.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -114.72 126.73 55.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.3 p -83.17 78.06 9.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.44 146.24 40.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.534 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 140.04 41.84 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.356 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.6 m -50.32 154.87 1.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.2 t 59.69 42.92 16.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.3 m -99.73 135.67 40.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.914 0.388 . . . . 0.0 110.821 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 m -94.21 -53.48 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.874 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.84 171.67 17.09 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 6' ' ' SER . 16.3 p -133.55 -40.3 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.917 0.389 . . . . 0.0 110.845 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 5' ' ' SER . 18.3 m 36.68 42.42 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.98 107.23 1.09 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -148.57 152.75 37.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -70.27 116.86 11.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 10' ' ' ARG . 21.8 ttm105 -49.37 134.6 18.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.487 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 5.1 p -107.75 45.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.0 91.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.6 m-20 -62.01 152.02 33.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.6 ' N ' ' CD1' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -132.92 76.74 1.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -39.54 -25.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 14' ' ' LEU . 33.0 mt-30 -127.75 144.86 52.77 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.611 0.719 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 174.56 9.29 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.695 2.263 . . . . 0.0 112.361 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.4 mt -124.11 153.23 30.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -110.36 123.74 50.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.1 m -129.65 143.35 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.0 m -97.19 120.53 37.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.89 109.65 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.8 mt -65.27 -31.93 73.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -140.1 162.04 36.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.9 t -74.35 163.09 28.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.564 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 67.7 t80 -158.15 161.11 37.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 18.0 mt-10 -142.27 108.48 5.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -48.41 102.23 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -67.85 -33.91 75.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.735 0.302 . . . . 0.0 110.917 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -92.72 158.2 38.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.631 0.729 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 2.57 3.4 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 0.0 112.31 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -129.51 30.79 3.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -111.62 -177.49 3.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.836 0.35 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.4 tp -120.27 146.62 45.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -112.0 121.28 44.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 40.2 p90 -138.36 176.98 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -135.09 151.25 50.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.59 104.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.35 -34.95 3.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.15 131.12 50.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.61 127.96 33.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.0 mt -109.76 114.27 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.6 m -68.87 96.27 0.75 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.153 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.0 t -67.96 115.16 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.5 pt -102.52 -38.37 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.152 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -138.35 108.56 6.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.51 ' HE2' ' CZ2' ' A' ' 55' ' ' TRP . 4.8 ptmm? -129.92 167.9 17.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.5 p -113.55 173.62 6.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.18 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -83.57 42.87 0.86 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.7 m -153.87 130.58 10.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -72.19 -63.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -38.68 -40.09 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.22 164.55 6.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.422 ' CH2' ' HD3' ' A' ' 67' ' ' PRO . 11.1 m95 -93.74 141.99 27.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.51 ' CZ2' ' HE2' ' A' ' 47' ' ' LYS . 54.5 m0 -113.31 175.64 5.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -124.7 114.8 19.79 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.33 -174.37 13.72 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.541 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.6 mtpt -129.04 132.9 47.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.0 tp -142.38 144.07 32.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 43.68 45.93 6.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.97 36.47 92.27 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.459 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -133.31 172.98 11.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 110.941 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.7 m -142.88 143.1 31.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.31 179.62 48.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.8 pt -101.21 153.09 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -162.67 152.47 13.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.633 0.73 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.422 ' HD3' ' CH2' ' A' ' 54' ' ' TRP . 53.7 Cg_endo -69.76 121.66 8.35 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.697 2.265 . . . . 0.0 112.299 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.3 -29.71 61.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -61.08 -11.69 9.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.418 ' CD1' ' HG2' ' A' ' 67' ' ' PRO . 9.8 m-85 -97.36 6.81 47.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.3 m -138.09 177.91 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.9 t -150.3 146.22 26.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 11.0 mtm -103.54 78.46 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -78.82 120.97 24.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.3 p -102.91 89.44 3.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -155.9 147.44 16.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.499 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 78' ' ' SER . 53.7 Cg_endo -69.78 2.78 3.23 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.683 2.255 . . . . 0.0 112.33 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 77' ' ' PRO . 14.4 m -34.76 124.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.81 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -86.32 -175.58 5.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.846 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.512 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 p -59.59 136.68 58.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.832 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -89.27 121.09 31.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.825 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.31 -115.86 3.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.7 p -132.24 125.61 31.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.359 . . . . 0.0 110.862 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.0 t -74.09 142.97 45.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.822 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.6 156.5 7.25 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.471 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -102.96 -58.14 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.768 0.318 . . . . 0.0 110.83 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 67.44 42.65 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -133.71 138.34 45.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.5 p -106.26 148.83 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.82 141.02 8.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.455 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -83.59 46.85 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 15' ' ' ASN . 1.7 tt -86.1 29.36 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 14' ' ' LEU . 2.1 m-80 -34.84 -37.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -163.87 147.58 8.18 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.551 0.691 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -177.01 1.68 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.66 2.24 . . . . 0.0 112.307 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.4 mt -122.28 158.43 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -109.84 122.21 47.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.4 m -129.72 146.99 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.096 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.8 m -102.18 126.94 49.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . -69.21 112.5 5.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.76 -25.09 63.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -143.84 160.88 40.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m -72.32 160.17 32.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 79.3 t80 -154.32 160.98 42.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.439 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 19.8 mt-10 -144.17 107.24 4.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -48.66 102.11 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -66.27 -35.08 79.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.76 0.314 . . . . 0.0 110.889 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -90.14 156.61 46.26 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.625 0.726 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 3.05 3.02 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.367 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -130.17 27.27 4.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.519 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -106.82 -175.14 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 110.812 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.6 tp -120.29 142.36 49.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -108.95 124.72 51.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 43.3 p90 -143.3 172.75 12.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -129.52 153.21 48.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.79 103.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 22' ' ' ALA . . . 124.46 -35.78 3.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.43 130.28 44.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.745 0.307 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.417 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 1.6 mpp_? -83.54 130.36 35.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.452 HG23 ' CE1' ' A' ' 66' ' ' PHE . 18.5 mt -113.14 126.68 70.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.4 m -79.86 94.01 5.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.422 ' CG1' ' HB3' ' A' ' 47' ' ' LYS . 58.8 t -60.19 108.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.106 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.7 pt -94.55 -39.14 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 t -141.34 110.03 6.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.518 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 18.6 pttm -127.41 176.01 7.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 81.2 p -120.32 -179.77 4.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -85.96 17.95 3.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.9 m -128.07 135.1 49.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -77.16 -66.17 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -38.73 -38.64 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.23 166.6 2.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.48 ' CH2' ' HD3' ' A' ' 67' ' ' PRO . 11.3 m95 -96.92 134.84 39.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.518 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 53.0 m0 -109.22 172.72 6.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -118.63 119.38 34.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -131.34 177.08 18.78 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.7 mtpp -122.31 134.97 54.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.34 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.478 ' CD1' ' HG2' ' A' ' 60' ' ' ARG . 6.0 tp -137.56 127.93 26.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.478 ' HG2' ' CD1' ' A' ' 59' ' ' LEU . 20.7 mmm180 44.23 38.28 2.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.63 -28.67 6.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 59' ' ' LEU . 3.1 mp0 -66.87 151.23 47.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 m -133.63 143.76 48.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 172.47 -179.62 43.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.506 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.1 pt -100.24 158.51 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 111.092 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.452 ' CE1' HG23 ' A' ' 42' ' ' ILE . 50.8 p90 -165.12 152.63 9.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.706 0.765 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.48 ' HD3' ' CH2' ' A' ' 54' ' ' TRP . 54.0 Cg_endo -69.78 122.05 8.73 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.404 ' HB1' ' CZ3' ' A' ' 55' ' ' TRP . . . -54.34 -33.14 58.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.048 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.528 ' ND2' ' H ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -57.33 -16.18 8.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -94.83 12.08 29.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.0 m -145.89 170.55 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.7 t -135.82 144.27 45.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 30.2 ttp -113.0 101.09 9.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -164.56 150.82 10.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 78.8 p -156.38 149.24 23.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 175.36 -158.13 25.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -6.47 18.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.8 m -39.06 134.28 1.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.0 t -146.35 132.08 18.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.1 p -153.23 153.75 33.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.5 p -167.79 174.29 7.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.84 -153.74 5.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -112.53 107.22 15.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.349 . . . . 0.0 110.887 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -78.29 149.23 33.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.1 72.54 0.47 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -42.4 123.07 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.752 0.31 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -63.18 -47.58 82.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.2 mmm-85 55.1 47.2 22.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.6 m -85.08 39.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.31 178.12 18.85 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.459 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -143.28 152.15 41.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.412 ' C ' HD12 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -134.38 90.73 2.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.41 HD21 ' N ' ' A' ' 15' ' ' ASN . 1.9 m-80 -77.24 -32.83 55.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -159.59 147.14 13.01 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.558 0.694 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -175.75 1.26 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.647 2.231 . . . . 0.0 112.348 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.4 HG21 ' N ' ' A' ' 19' ' ' GLU . 8.7 mt -125.59 145.35 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.4 ' N ' HG21 ' A' ' 18' ' ' ILE . 28.9 mt-10 -102.63 126.47 49.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.0 m -135.13 147.33 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -101.29 124.71 47.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.74 109.1 2.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.4 mt -65.43 -31.28 72.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -137.26 160.45 38.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 t -74.16 165.1 25.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 55.8 t80 -164.17 135.01 4.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -122.88 99.37 6.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.48 109.59 1.27 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -69.02 -22.27 64.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.771 0.32 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -101.83 152.44 38.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.598 0.713 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 1.02 4.85 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -110.69 -3.21 28.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.91 -177.12 4.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.0 tp -120.86 145.43 47.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -109.98 120.0 41.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 47.0 p90 -143.13 168.6 19.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -127.06 156.13 42.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.44 104.3 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.84 -32.6 4.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.54 137.84 57.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.834 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.1 128.71 35.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.414 ' CG2' ' CE2' ' A' ' 66' ' ' PHE . 18.2 mt -112.87 122.13 66.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.6 m -77.1 103.52 7.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.409 ' CG1' ' HB3' ' A' ' 47' ' ' LYS . 61.7 t -68.06 106.54 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.135 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.3 pt -95.05 -37.94 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 t -139.77 107.37 5.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.486 ' HE3' ' CH2' ' A' ' 55' ' ' TRP . 3.7 ptmm? -136.06 169.4 17.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.4 p -117.35 178.19 4.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -65.95 -50.95 62.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.1 m -61.37 155.67 20.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 52' ' ' PHE . 7.7 p-80 -96.78 -62.21 1.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.436 ' C ' ' O ' ' A' ' 51' ' ' HIS . 14.6 m-85 -35.1 -39.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.54 166.91 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -95.75 139.09 32.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.542 ' CZ3' ' HB2' ' A' ' 68' ' ' ALA . 54.9 m0 -113.62 171.49 7.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -122.38 117.08 25.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.69 179.76 16.41 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.2 mtpp -125.22 137.79 54.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.0 tp -138.1 128.41 26.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.3 mtp85 50.2 29.57 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.35 -24.8 27.44 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -69.65 166.42 19.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.938 0.399 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 m -145.69 140.95 27.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 179.1 178.82 48.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.527 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.6 pt -97.59 153.08 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.918 0.39 . . . . 0.0 111.098 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.414 ' CE2' ' CG2' ' A' ' 42' ' ' ILE . 31.3 p90 -163.74 152.53 11.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.631 0.729 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 121.49 8.17 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.542 ' HB2' ' CZ3' ' A' ' 55' ' ' TRP . . . -59.15 -20.08 50.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -68.95 -15.1 63.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -91.09 -4.69 56.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.9 m -127.27 -177.47 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.106 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.7 t -150.83 132.9 15.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.12 27.23 9.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -95.33 171.64 8.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.4 t -105.08 116.71 32.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.75 -158.25 11.19 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 135.08 29.62 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.388 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 83.4 p -83.78 166.82 17.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.0 p -93.4 142.87 26.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 179.999 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 p -103.99 175.19 5.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.889 0.376 . . . . 0.0 110.928 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -96.24 174.3 6.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.32 -124.84 0.45 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -153.92 130.36 10.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.9 0.381 . . . . 0.0 110.877 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -126.42 100.68 6.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.71 118.15 4.94 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.475 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -57.01 122.82 13.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -88.53 97.16 10.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.4 ptp85 -118.06 145.75 44.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.5 m -103.34 168.57 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 126.75 52.98 0.15 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.429 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -47.31 113.5 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.834 0.35 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.417 HD23 ' C ' ' A' ' 14' ' ' LEU . 1.5 tt -99.3 69.03 1.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -45.47 -42.69 10.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -173.48 144.33 1.09 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.608 0.718 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 176.84 6.21 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.697 2.265 . . . . 0.0 112.361 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.2 mt -123.45 154.32 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -110.42 123.89 50.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.7 m -131.54 143.03 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.2 m -100.02 119.21 37.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.7 110.9 1.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.8 mt -67.67 -33.22 74.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -138.37 160.1 40.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.7 t -70.44 166.33 20.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.543 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 67.4 t80 -159.58 157.38 29.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.883 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -139.03 105.54 5.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -48.28 102.3 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.435 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -67.18 -35.65 80.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 0.0 110.915 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -88.16 157.47 50.82 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.561 0.696 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 1.52 4.36 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.336 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -130.0 29.65 3.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -107.19 -178.16 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.329 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tp -120.63 141.58 50.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -109.06 126.87 53.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.543 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 36.3 p90 -142.68 179.6 6.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -135.93 156.55 48.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.9 104.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.78 -31.55 4.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.463 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.17 131.56 50.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.861 0.362 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -82.72 134.04 35.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.3 mt -116.91 116.72 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 87.1 m -72.34 100.05 2.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 68.2 t -64.52 113.11 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.6 pt -99.79 -38.79 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.19 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.7 t -141.51 106.33 4.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.522 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 25.0 pttt -136.26 167.95 20.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.1 p -114.62 -179.13 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.153 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -85.34 38.47 0.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.3 m -149.92 127.34 11.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.437 ' CD2' ' H ' ' A' ' 52' ' ' PHE . 17.5 p-80 -74.84 -56.11 5.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.437 ' H ' ' CD2' ' A' ' 51' ' ' HIS . 22.5 t80 -38.81 -43.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -65.54 163.26 16.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.41 ' CE3' HD12 ' A' ' 65' ' ' ILE . 11.7 m95 -88.94 141.24 28.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.522 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.5 m0 -117.16 171.69 7.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.979 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -119.43 115.27 23.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.64 178.5 17.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -120.99 136.42 54.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.446 HD11 ' CD ' ' A' ' 60' ' ' ARG . 15.9 tp -134.45 128.18 32.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.446 ' CD ' HD11 ' A' ' 59' ' ' LEU . 0.5 OUTLIER 44.24 34.07 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.79 -31.36 7.3 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' LEU . 13.6 mm100 -66.67 165.0 15.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.939 0.4 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.2 m -144.81 145.44 31.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.7 -176.91 47.55 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.517 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.41 HD12 ' CE3' ' A' ' 54' ' ' TRP . 9.7 pt -100.93 153.83 4.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.873 0.368 . . . . 0.0 111.114 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -163.61 152.71 12.18 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.684 0.754 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.404 ' HG2' ' CD1' ' A' ' 70' ' ' TYR . 53.8 Cg_endo -69.79 122.38 9.05 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.246 . . . . 0.0 112.356 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.451 ' HB1' ' CZ3' ' A' ' 55' ' ' TRP . . . -57.19 -25.84 59.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.074 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -64.61 -11.56 36.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.404 ' CD1' ' HG2' ' A' ' 67' ' ' PRO . 6.3 m-85 -95.87 3.86 53.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.5 m -135.83 173.17 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.179 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.3 t -141.54 150.87 42.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 55.3 mtp -98.69 86.74 3.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -143.81 129.46 19.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.936 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 72.8 m -103.97 107.31 18.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.18 -159.06 17.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -173.79 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.689 2.259 . . . . 0.0 112.37 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.8 m -79.12 138.43 37.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.6 p -100.93 169.33 9.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 3' ' ' SER . 49.9 p -167.71 135.06 2.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 110.857 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 2' ' ' SER . 58.9 p 37.67 42.25 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.849 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.81 133.78 3.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -167.5 118.45 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 110.89 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.5 m -52.74 -51.51 60.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.88 102.51 0.15 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -95.11 129.56 42.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.765 0.317 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -88.14 177.92 6.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -133.29 108.81 8.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.1 m -91.59 121.19 41.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 43.64 -158.98 0.1 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -103.71 131.79 50.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 15' ' ' ASN . 0.8 OUTLIER -131.99 47.56 2.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 14' ' ' LEU . 2.3 m-20 -34.56 -42.09 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -159.48 148.93 14.55 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.575 0.703 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -174.39 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.697 2.264 . . . . 0.0 112.34 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mt -125.39 154.81 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -108.52 126.58 53.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.8 m -134.76 138.61 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.7 m -96.93 127.78 43.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . -68.43 105.1 2.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.081 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.9 mt -61.39 -33.18 73.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -139.45 174.86 10.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.8 p -82.41 158.92 23.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.522 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 78.4 t80 -151.85 158.99 43.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.402 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 18.0 mt-10 -141.26 105.09 4.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -48.79 102.33 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -66.66 -35.54 80.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.75 0.31 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -89.98 155.31 47.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.552 0.691 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 1.49 4.41 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.631 2.22 . . . . 0.0 112.383 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -126.54 27.19 5.03 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -108.18 -176.63 3.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.374 . . . . 0.0 110.82 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.0 tp -121.69 138.99 54.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -105.26 124.55 49.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.522 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 45.5 p90 -138.55 176.14 8.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -131.85 154.51 49.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.35 104.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.075 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' ALA . . . 123.25 -34.96 3.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -58.82 132.09 52.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -83.22 135.32 34.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.8 mt -118.49 115.59 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.4 m -71.44 98.05 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 49.6 t -65.68 123.31 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.5 pt -109.68 -37.53 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 t -140.68 107.05 5.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.497 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 5.9 ptmm? -130.71 173.59 10.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.4 p -119.87 169.95 9.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -79.59 47.1 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.1 m -158.11 133.15 8.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -75.97 -60.23 2.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -39.41 -42.06 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -62.57 165.52 6.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -96.97 137.73 35.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.497 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 53.9 m0 -111.05 171.43 7.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -120.28 114.11 21.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.06 -173.21 13.64 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -127.08 137.73 53.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.479 ' CD1' ' HG2' ' A' ' 60' ' ' ARG . 5.7 tp -140.99 127.75 20.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.479 ' HG2' ' CD1' ' A' ' 59' ' ' LEU . 21.3 mmm-85 44.41 45.78 7.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.12 -25.78 4.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.524 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -71.54 166.43 21.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.93 0.395 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.455 HG21 ' N ' ' A' ' 64' ' ' GLY . 20.2 m -151.43 145.67 25.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.455 ' N ' HG21 ' A' ' 63' ' ' THR . . . 175.26 -172.78 45.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.3 pt -102.34 153.75 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.359 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -164.75 152.54 10.33 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.737 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 122.95 9.61 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.235 . . . . 0.0 112.293 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.32 -18.79 40.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.053 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -69.39 -13.49 62.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -95.08 -4.46 46.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.0 m -130.63 -178.06 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.2 t -152.07 152.65 32.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 49.9 mtp -109.42 88.9 2.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -131.14 147.46 52.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.0 m -110.27 153.03 25.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.32 -159.21 15.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.506 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 130.92 20.07 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.659 2.239 . . . . 0.0 112.338 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.4 m -92.54 148.21 22.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.7 t -66.3 149.86 49.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.479 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.6 p -98.03 138.12 35.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.39 . . . . 0.0 110.82 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.1 p -87.43 -44.55 11.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.93 157.83 9.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.5 m -143.43 138.87 29.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.373 . . . . 0.0 110.853 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.9 t -130.79 120.29 23.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.77 105.5 1.12 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.472 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 37.8 p-80 -119.25 152.9 35.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.721 0.296 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -78.48 135.42 37.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 -96.67 42.98 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.1 m -85.99 40.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.06 -52.63 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.46 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 61.73 39.16 14.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.406 HD13 ' C ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -89.57 104.41 16.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -87.15 -32.49 19.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.406 ' C ' HD13 ' A' ' 14' ' ' LEU . 6.8 pt20 -151.53 144.04 16.6 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.572 0.701 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.477 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 53.6 Cg_endo -69.82 177.26 5.8 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.67 2.247 . . . . 0.0 112.327 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.6 mt -109.96 161.66 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -116.63 123.14 46.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.8 m -129.59 145.55 35.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.4 m -99.49 121.93 41.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . -60.86 112.61 2.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.4 mt -69.67 -35.52 75.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -138.93 166.35 24.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.1 p -73.47 159.21 33.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.839 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 75.6 t80 -155.77 158.77 38.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 8.3 mt-10 -143.35 107.03 4.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -48.09 101.81 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -65.85 -35.18 79.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.758 0.313 . . . . 0.0 110.887 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -91.87 157.43 41.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.543 0.687 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 2.51 3.45 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.667 2.244 . . . . 0.0 112.386 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -126.26 26.43 5.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.532 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -108.62 -177.47 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.7 tp -120.63 147.91 44.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -110.18 122.85 48.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 53.9 p90 -142.0 172.21 12.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -129.43 159.99 34.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.9 104.39 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 22' ' ' ALA . . . 121.96 -28.51 5.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.52 127.56 31.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.831 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.1 mmm-85 -80.75 126.29 31.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.2 mt -110.67 122.81 65.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.0 m -79.33 97.23 6.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 17' ' ' PRO . 51.5 t -63.06 113.11 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.1 pt -97.04 -37.28 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 t -142.89 110.2 5.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.498 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 13.0 pttm -128.55 179.65 5.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.0 p -125.62 -179.12 4.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.162 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.61 -62.58 1.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.6 t -58.15 142.53 46.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.427 ' CE1' ' CE2' ' A' ' 52' ' ' PHE . 10.3 p80 -82.4 -56.82 3.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.427 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 25.2 m-85 -36.98 -41.53 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -55.65 165.1 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.545 ' CH2' ' HD3' ' A' ' 67' ' ' PRO . 11.5 m95 -92.51 139.39 30.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.498 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.6 m0 -111.24 170.93 7.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -118.99 112.29 19.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.14 -177.12 14.78 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -127.42 138.14 52.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.481 ' CD1' ' HG2' ' A' ' 60' ' ' ARG . 5.3 tp -142.29 128.07 19.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.914 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.481 ' HG2' ' CD1' ' A' ' 59' ' ' LEU . 16.3 mmm-85 44.32 54.23 6.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.84 42.67 99.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -133.14 167.28 20.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.7 m -146.77 137.3 23.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 179.24 173.92 44.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.501 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.6 pt -99.79 147.38 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 111.131 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.482 ' HA ' ' CE3' ' A' ' 54' ' ' TRP . 49.4 p90 -157.24 152.62 21.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.653 0.739 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.545 ' HD3' ' CH2' ' A' ' 54' ' ' TRP . 53.7 Cg_endo -69.82 121.5 8.17 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.628 2.219 . . . . 0.0 112.344 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.51 -20.46 46.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -68.72 -11.69 60.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -96.02 -2.52 46.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.5 m -130.36 176.35 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.162 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.0 t -137.2 130.5 31.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.9 tmm? -113.22 95.42 5.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -112.84 -49.71 2.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.3 t 47.33 45.61 16.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -148.53 147.08 17.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 78' ' ' SER . 54.2 Cg_endo -69.75 -4.19 13.51 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.241 . . . . 0.0 112.34 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 77' ' ' PRO . 6.2 t -34.6 -64.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.8 m -103.62 143.8 32.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.414 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.185 0 CA-C-O 120.786 0.244 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.439 HD12 ' HD3' ' A' ' 47' ' ' LYS . 3.2 mt -118.11 153.49 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -109.68 122.9 48.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.4 m -128.5 147.45 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.2 m -104.0 116.97 33.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.91 112.05 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.645 HD21 ' HB ' ' A' ' 72' ' ' THR . 40.8 mt -70.09 -30.43 67.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -142.41 157.97 44.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.9 m -72.77 154.58 40.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.914 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 81.5 t80 -149.44 148.55 29.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -129.18 102.32 6.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.486 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -78.87 -175.28 4.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.831 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.1 tp -120.31 153.18 36.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.471 ' O ' HD23 ' A' ' 59' ' ' LEU . 33.6 m-80 -118.02 117.63 29.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 42.9 p90 -141.3 176.13 9.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -138.45 152.2 48.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.09 105.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.07 -35.97 3.22 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.48 127.46 32.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.9 mmm-85 -81.65 129.11 34.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.516 HG21 ' CE1' ' A' ' 66' ' ' PHE . 14.9 mt -111.0 128.74 67.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.9 m -82.19 101.9 10.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.4 t -67.62 106.94 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.7 pt -94.87 -38.16 8.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 t -143.24 105.33 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.538 ' HE3' ' CZ2' ' A' ' 55' ' ' TRP . 11.0 ptmt -130.59 170.01 14.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 60.8 p -112.96 175.94 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -89.4 44.36 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.2 m -146.57 132.14 18.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 53.0 m80 -80.43 -27.73 37.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -89.51 46.84 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -149.98 165.19 33.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -91.59 133.3 35.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.538 ' CZ2' ' HE3' ' A' ' 47' ' ' LYS . 51.3 m0 -110.39 174.11 6.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 56.0 tt0 -120.18 112.05 18.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -124.68 -176.17 14.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -130.08 133.97 47.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.322 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 35' ' ' ASN . 10.8 tp -143.39 145.34 32.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 41.56 45.11 2.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.42 37.29 94.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -132.45 175.72 9.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.919 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.7 m -147.44 140.75 25.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.09 177.05 48.31 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.2 pt -99.76 148.6 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.88 0.371 . . . . 0.0 111.12 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.516 ' CE1' HG21 ' A' ' 42' ' ' ILE . 50.1 p90 -159.35 152.41 18.37 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.673 0.749 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.42 ' HG2' ' CD1' ' A' ' 70' ' ' TYR . 54.1 Cg_endo -69.73 122.97 9.65 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.527 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . . . -58.54 -25.63 62.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.074 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -64.38 -11.41 32.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.42 ' CD1' ' HG2' ' A' ' 67' ' ' PRO . 6.2 m-85 -96.97 2.05 51.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.9 m -133.37 -179.46 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.645 ' HB ' HD21 ' A' ' 23' ' ' LEU . 9.2 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.777 0.24 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.6 mt -121.28 147.66 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -100.75 123.18 44.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.0 m -128.34 139.87 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.5 m -97.74 121.33 39.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.98 111.96 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.128 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.683 HD21 ' CG2' ' A' ' 72' ' ' THR . 39.3 mt -67.42 -32.4 73.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.438 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 20.9 m-85 -142.28 168.41 19.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.982 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 80.7 p -77.2 150.91 35.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 79.7 t80 -150.83 154.9 38.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -142.64 109.36 5.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.88 179.84 0.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.857 0.36 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 tp -120.07 143.41 48.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -108.26 127.71 54.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 41.5 p90 -141.66 179.37 6.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 -133.86 154.76 50.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.438 ' HB2' ' HA ' ' A' ' 24' ' ' TYR . . . -52.67 103.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.113 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.32 -29.81 5.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.53 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.32 127.89 33.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 0.0 110.832 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -81.27 130.73 35.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.7 mt -111.9 131.04 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.2 m -83.02 96.71 8.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.427 HG11 ' HD2' ' A' ' 47' ' ' LYS . 61.1 t -64.55 110.99 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.136 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.414 HD13 ' HD2' ' A' ' 58' ' ' LYS . 5.2 pt -97.35 -38.0 7.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.3 t -142.82 114.2 7.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HD2' HG11 ' A' ' 44' ' ' VAL . 17.8 ptmt -130.45 164.92 23.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.8 p -110.16 176.83 4.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -88.09 60.34 5.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.5 t -169.86 142.49 2.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.64 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 17.4 m170 -75.91 -64.18 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -43.52 -52.97 5.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -42.92 155.8 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.45 ' CE3' HD12 ' A' ' 65' ' ' ILE . 10.9 m0 -91.39 141.85 28.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.427 ' CZ2' ' HE3' ' A' ' 47' ' ' LYS . 50.8 m0 -112.76 173.42 6.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -122.06 115.78 23.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -127.71 -178.22 15.23 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.414 ' HD2' HD13 ' A' ' 45' ' ' ILE . 7.2 mtpp -127.19 132.46 50.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.416 HD22 ' HB3' ' A' ' 36' ' ' PHE . 7.8 tp -143.06 144.28 32.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 43.34 46.41 5.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.41 42.23 97.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.5 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -138.04 168.68 19.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.379 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.7 m -138.36 137.99 37.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.179 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -178.89 172.38 44.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.45 HD12 ' CE3' ' A' ' 54' ' ' TRP . 5.8 pt -97.2 155.87 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 111.184 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -164.31 152.28 10.78 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.665 0.745 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 122.99 9.64 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.614 2.209 . . . . 0.0 112.353 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -59.7 -16.13 24.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -72.11 -13.37 61.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -94.82 -4.73 46.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.6 m -130.08 177.31 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.683 ' CG2' HD21 ' A' ' 23' ' ' LEU . 13.5 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.194 0 CA-C-O 120.757 0.232 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.4 mt -121.12 144.59 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -101.16 124.02 46.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.8 m -128.92 144.24 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.2 m -99.98 118.27 36.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.61 118.89 7.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.421 HD21 ' HB ' ' A' ' 72' ' ' THR . 73.2 mt -72.73 -35.47 67.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -136.81 157.46 46.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.1 t -70.22 162.15 28.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 61.5 t80 -160.26 157.56 28.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.4 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 11.4 mt-10 -140.67 106.98 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.544 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -105.11 -178.19 3.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.786 0.326 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.4 tp -120.36 143.97 48.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -110.79 124.55 52.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.576 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 35.2 p90 -140.62 -179.87 6.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -132.71 165.74 23.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.96 104.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.82 -1.77 25.91 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.28 126.61 32.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.818 0.342 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -76.4 124.85 28.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.68 HG21 ' CE2' ' A' ' 66' ' ' PHE . 18.9 mt -111.96 116.41 52.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.8 m -70.92 94.31 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.05 109.97 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.3 pt -94.82 -39.56 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.3 t -140.54 113.25 8.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.524 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 26.7 pttt -137.73 167.56 21.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.1 p -114.79 177.31 4.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.181 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -83.75 39.85 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.3 p -150.52 124.07 9.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.706 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 7.3 p80 -70.89 -59.02 3.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -39.98 -37.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.98 161.39 26.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -87.47 138.15 31.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.524 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.4 m0 -112.45 170.15 8.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -118.14 116.52 27.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.05 -176.39 14.43 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.542 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -130.58 132.54 45.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.2 tp -144.03 144.16 31.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 44.98 42.85 6.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.49 37.37 94.58 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -133.01 171.59 13.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 m -141.78 139.92 32.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.68 173.34 45.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.9 pt -97.0 151.33 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.68 ' CE2' HG21 ' A' ' 42' ' ' ILE . 46.0 p90 -160.36 152.39 16.89 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.629 0.728 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 122.22 8.9 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.25 . . . . 0.0 112.319 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -57.49 -30.28 64.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -58.69 -14.23 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -96.84 11.09 37.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 68' ' ' ALA . 7.9 m -143.48 172.22 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.119 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.421 ' HB ' HD21 ' A' ' 23' ' ' LEU . 13.3 t . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.782 0.243 . . . . 0.0 112.365 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.8 mt -118.59 149.94 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -104.57 122.13 44.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.5 m -124.96 148.94 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.3 m -104.44 112.79 25.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.31 112.55 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.468 HD21 ' HB ' ' A' ' 72' ' ' THR . 57.3 mt -71.31 -31.23 67.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -143.0 160.35 40.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.7 p -71.75 161.41 31.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 62.0 t80 -161.18 153.04 19.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -138.15 106.73 5.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.2 -176.95 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.843 0.354 . . . . 0.0 110.826 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.401 ' HG ' ' N ' ' A' ' 35' ' ' ASN . 23.3 tp -122.03 153.85 38.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.599 ' O ' HD23 ' A' ' 59' ' ' LEU . 39.4 m-80 -114.62 121.61 43.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 45.0 p90 -142.85 175.91 9.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -136.7 157.58 46.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.02 104.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.46 -32.2 4.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.46 131.86 51.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.412 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 1.8 mpp_? -85.32 121.09 27.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.631 HG21 ' CE1' ' A' ' 66' ' ' PHE . 17.5 mt -103.71 120.29 53.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.6 m -76.79 97.55 4.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.168 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.29 111.69 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.9 pt -98.0 -38.72 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 t -142.51 113.27 7.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.507 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 18.2 pttm -130.02 175.15 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 79.5 p -118.22 -179.59 3.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -87.06 44.08 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.6 m -162.27 135.22 5.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.634 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 2.1 p80 -78.47 -50.73 11.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -44.64 -39.79 5.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -66.83 166.31 13.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.468 ' CE3' HD12 ' A' ' 65' ' ' ILE . 11.6 m95 -92.43 139.06 30.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.507 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.5 m0 -111.52 170.37 8.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.956 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -115.43 113.15 23.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.47 -175.08 14.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.9 mtpt -132.86 134.51 44.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.321 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 35' ' ' ASN . 16.9 tp -143.51 146.83 33.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 40.69 46.65 2.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.73 39.25 96.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.519 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -135.68 174.38 10.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.4 m -144.32 141.47 29.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 179.43 170.41 41.18 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.468 HD12 ' CE3' ' A' ' 54' ' ' TRP . 7.9 pt -92.61 153.25 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.807 0.337 . . . . 0.0 111.175 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.631 ' CE1' HG21 ' A' ' 42' ' ' ILE . 51.1 p90 -163.74 152.41 11.73 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.659 0.742 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.408 ' HD3' ' CH2' ' A' ' 54' ' ' TRP . 53.7 Cg_endo -69.76 121.58 8.27 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.636 2.224 . . . . 0.0 112.367 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -58.98 -24.76 63.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.089 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -64.36 -12.23 40.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -98.13 5.53 48.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.6 m -137.47 172.82 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.468 ' HB ' HD21 ' A' ' 23' ' ' LEU . 13.4 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.78 0.242 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mt -115.2 147.54 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -110.39 124.57 51.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.8 m -127.1 153.02 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.4 m -108.09 112.01 24.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.92 114.98 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.412 HD21 ' HB ' ' A' ' 72' ' ' THR . 94.2 mt -70.07 -35.32 74.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -138.55 176.5 8.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.9 p -80.32 163.08 24.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.498 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 12.2 t80 -158.91 140.54 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.493 ' HA ' ' ND2' ' A' ' 35' ' ' ASN . 38.5 mt-10 -130.76 101.43 5.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.458 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.0 179.4 7.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.415 ' O ' ' CE1' ' A' ' 26' ' ' PHE . 10.5 tp -121.0 141.38 50.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.493 ' ND2' ' HA ' ' A' ' 27' ' ' GLU . 4.8 m120 -108.72 121.41 44.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.498 ' CZ ' ' CB ' ' A' ' 26' ' ' PHE . 42.6 p90 -137.55 174.25 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -129.44 157.55 41.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.52 101.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.32 -34.2 3.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.49 130.07 43.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.762 0.315 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -80.87 132.86 35.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.416 HG21 ' CE1' ' A' ' 66' ' ' PHE . 16.7 mt -115.99 119.66 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 93.1 m -74.81 102.24 4.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.496 HG11 ' HG2' ' A' ' 47' ' ' LYS . 59.1 t -68.62 125.23 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 pt -112.23 -37.04 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.4 t -141.67 106.57 4.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.536 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -139.27 169.37 17.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.1 p -113.07 177.82 4.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -89.54 47.26 1.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -149.2 123.22 9.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -72.16 -26.83 62.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -88.75 48.95 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -153.19 157.62 40.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.477 ' CE3' HD12 ' A' ' 65' ' ' ILE . 15.7 m95 -84.17 129.18 34.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.536 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.1 m0 -109.53 176.32 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -122.41 115.44 22.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.24 177.7 17.79 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.6 ' HG3' HG23 ' A' ' 63' ' ' THR . 27.9 mtpt -123.11 141.09 52.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 35.3 tp -142.96 129.31 19.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.5 mtt-85 47.84 32.41 2.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.82 -27.25 11.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -71.72 161.03 31.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.6 HG23 ' HG3' ' A' ' 58' ' ' LYS . 1.8 m -140.36 150.03 43.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 173.39 -179.32 44.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.477 HD12 ' CE3' ' A' ' 54' ' ' TRP . 6.0 pt -100.49 154.79 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.515 ' CE2' HG11 ' A' ' 71' ' ' VAL . 48.5 p90 -165.09 152.37 9.71 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.688 0.756 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 121.5 8.18 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.314 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.446 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . . . -57.36 -19.03 20.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -68.64 -14.29 62.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -95.71 6.02 49.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.515 HG11 ' CE2' ' A' ' 66' ' ' PHE . 3.7 m -139.08 176.95 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.174 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.412 ' HB ' HD21 ' A' ' 23' ' ' LEU . 9.7 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.773 0.239 . . . . 0.0 112.365 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 mt -127.11 158.22 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -113.81 122.8 48.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.7 m -127.74 149.69 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.3 m -105.24 117.91 35.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.02 112.75 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.638 HD21 ' CG2' ' A' ' 72' ' ' THR . 83.4 mt -67.19 -33.99 76.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -139.93 170.78 15.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.1 p -74.68 167.02 22.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 52.8 t80 -161.94 153.17 18.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -140.64 107.59 5.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.84 -175.35 2.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.823 0.344 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.0 tp -119.92 154.78 33.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.476 ' O ' HD23 ' A' ' 59' ' ' LEU . 36.8 m-80 -118.5 117.67 29.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 47.8 p90 -139.95 175.88 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -134.32 160.83 36.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.34 103.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.42 -32.49 4.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.5 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.74 130.02 44.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.61 130.58 35.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.409 HG21 ' CE1' ' A' ' 66' ' ' PHE . 19.7 mt -113.59 123.61 69.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.2 m -74.31 102.72 4.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.5 t -69.94 110.22 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.471 HD11 ' HG2' ' A' ' 56' ' ' GLU . 3.3 pt -97.78 -39.2 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -135.85 116.5 13.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.522 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 11.3 ptmt -149.04 -175.38 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.08 154.53 38.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.4 -39.89 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.881 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.0 p -72.49 119.81 17.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.474 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 9.0 p-80 -79.88 -40.35 28.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -44.37 -44.25 8.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.27 172.2 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.573 ' CE3' HD12 ' A' ' 65' ' ' ILE . 10.4 m95 -95.97 136.17 36.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.522 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.9 m0 -109.65 169.06 8.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.471 ' HG2' HD11 ' A' ' 45' ' ' ILE . 41.5 tt0 -121.25 120.14 34.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -126.28 179.49 16.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.468 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.404 ' HD2' HD13 ' A' ' 45' ' ' ILE . 8.3 mtpp -129.24 133.67 47.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 35' ' ' ASN . 7.0 tp -145.56 142.83 29.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.966 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 47.52 41.68 13.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.06 39.06 97.57 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -134.98 167.65 20.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.923 0.392 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -137.36 138.46 39.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -173.82 171.9 44.86 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.435 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.573 HD12 ' CE3' ' A' ' 54' ' ' TRP . 6.7 pt -99.87 155.61 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.368 . . . . 0.0 111.095 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.409 ' CE1' HG21 ' A' ' 42' ' ' ILE . 50.9 p90 -167.42 152.57 6.95 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.624 0.726 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 121.61 8.3 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.355 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.517 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . . . -59.24 -17.14 25.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -69.22 -16.25 63.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -89.26 -10.76 45.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.2 m -120.84 172.91 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.638 ' CG2' HD21 ' A' ' 23' ' ' LEU . 8.8 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.784 0.243 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.483 ' CD1' ' HE3' ' A' ' 47' ' ' LYS . 5.0 mt -127.58 151.12 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.07 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -108.12 124.75 50.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.9 m -131.09 154.05 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.196 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.3 m -108.4 120.48 42.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.538 ' HA ' HG12 ' A' ' 71' ' ' VAL . . . -62.08 105.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.504 HD21 ' CG2' ' A' ' 72' ' ' THR . 80.7 mt -62.02 -32.06 72.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -137.28 170.31 16.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.4 p -76.11 167.27 22.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.549 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 17.9 t80 -163.92 142.51 7.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -135.14 105.71 6.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 -179.939 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -81.09 -176.7 6.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.894 0.378 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.3 tp -121.35 143.49 49.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -111.47 120.75 43.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.549 ' CZ ' ' CB ' ' A' ' 26' ' ' PHE . 52.2 p90 -139.28 174.67 10.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -132.38 163.86 27.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.03 103.07 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.73 -33.9 3.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -55.8 132.71 50.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.771 0.32 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.03 130.82 34.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.841 HG21 ' CE2' ' A' ' 66' ' ' PHE . 19.2 mt -112.57 116.88 53.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.5 m -74.55 95.66 2.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.85 118.03 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.6 pt -104.43 -38.07 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 t -146.55 110.96 5.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.508 ' HB2' ' CG ' ' A' ' 55' ' ' TRP . 12.3 pttp -126.76 -177.71 4.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.9 p -123.33 -179.22 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -89.05 43.22 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.4 m -159.2 135.07 8.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.46 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 52.7 m80 -74.54 -63.15 1.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -38.64 -40.54 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.78 166.52 2.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.841 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -95.67 136.86 35.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.565 ' CD2' ' HB2' ' A' ' 68' ' ' ALA . 54.8 m0 -111.34 172.43 6.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -118.77 113.34 20.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.56 -177.7 15.0 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -128.83 139.62 52.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.7 tp -141.56 129.47 21.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.5 mtp85 46.41 32.28 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.13 -28.56 10.4 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -69.13 156.92 37.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.8 m -138.78 143.82 39.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.57 -176.96 48.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.467 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.3 pt -99.15 156.49 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.372 . . . . 0.0 111.101 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.841 ' CE2' HG21 ' A' ' 42' ' ' ILE . 22.3 p90 -167.66 151.56 6.15 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.678 0.751 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 122.63 9.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.37 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.565 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . . . -64.04 -11.24 27.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.084 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -75.12 -15.29 60.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -89.5 -10.04 47.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.538 HG12 ' HA ' ' A' ' 22' ' ' ALA . 15.4 m -121.38 173.52 7.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.504 ' CG2' HD21 ' A' ' 23' ' ' LEU . 13.6 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.829 0.262 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.5 mt -118.79 157.58 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -113.34 123.07 49.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.6 m -130.26 146.26 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.0 m -101.81 117.29 34.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.86 105.24 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.8 mt -61.69 -31.09 71.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -139.95 160.99 38.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.7 t -73.67 162.94 28.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.82 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 66.4 t80 -159.22 164.39 35.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.51 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 36.3 mt-10 -150.87 112.13 4.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.482 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -57.85 176.83 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.36 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.4 tp -121.54 141.66 50.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -105.94 127.66 53.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 31.8 p90 -141.29 -178.7 5.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -136.79 152.43 50.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.54 104.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.102 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.61 -33.7 4.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -58.22 132.91 54.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.755 0.312 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -82.98 123.62 29.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.91 HG21 ' CE2' ' A' ' 66' ' ' PHE . 19.3 mt -106.03 111.2 34.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.3 m -67.3 97.64 0.56 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.587 HG11 ' HG2' ' A' ' 47' ' ' LYS . 84.0 t -64.82 114.73 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.5 pt -102.72 -39.29 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.7 t -140.29 105.15 4.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.587 ' HG2' HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -131.79 166.6 21.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.88 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.5 p -116.59 174.09 6.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.09 44.7 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.9 m -142.73 116.3 9.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.685 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 27.6 p-80 -64.81 -38.55 91.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.816 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -68.49 -43.47 76.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -55.77 161.74 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.475 ' CE3' HD12 ' A' ' 65' ' ' ILE . 10.5 m0 -92.88 139.78 30.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.52 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 52.5 m0 -112.18 171.06 7.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -120.82 115.18 22.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.83 -175.94 14.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -127.3 138.04 52.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.868 0.366 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.9 tp -138.34 128.32 25.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 46.99 34.79 2.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.87 -28.73 8.87 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -67.55 162.96 22.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.858 0.361 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.0 m -143.5 144.5 32.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.01 -179.59 46.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.475 HD12 ' CE3' ' A' ' 54' ' ' TRP . 7.5 pt -97.82 158.0 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 111.105 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.91 ' CE2' HG21 ' A' ' 42' ' ' ILE . 41.1 p90 -166.17 152.61 8.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.641 0.734 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 121.49 8.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.353 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -56.43 -26.97 55.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.121 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -61.76 -13.51 24.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -97.41 12.56 32.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 68' ' ' ALA . 13.1 m -145.36 177.37 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.739 0.225 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.424 HD12 ' HD3' ' A' ' 47' ' ' LYS . 3.9 mt -119.3 159.64 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.123 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -115.26 124.69 51.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.7 m -131.71 157.85 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.5 m -111.16 122.11 47.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.52 105.42 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.078 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.555 HD21 ' HB ' ' A' ' 72' ' ' THR . 54.8 mt -61.77 -33.45 74.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -139.38 155.9 47.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.4 m -69.2 158.56 34.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 79.6 t80 -151.44 162.31 41.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.464 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 40.7 mt-10 -143.06 105.4 4.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 -179.944 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -108.26 -174.99 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.9 tp -119.92 147.02 45.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.616 ' O ' HD23 ' A' ' 59' ' ' LEU . 46.3 m-80 -108.04 118.08 35.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 55.2 p90 -141.2 161.83 36.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -123.17 161.37 24.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.93 104.29 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.57 -34.34 3.82 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.83 131.44 50.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.342 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -82.44 130.55 35.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.602 HG21 ' CE1' ' A' ' 66' ' ' PHE . 18.9 mt -111.18 118.89 58.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.5 m -71.87 98.74 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 47' ' ' LYS . 59.5 t -67.51 111.49 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.3 pt -96.94 -38.58 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 t -143.05 105.49 4.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.528 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 13.9 pttm -121.3 177.26 5.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.3 p -126.89 172.77 10.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -62.75 -59.98 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.8 m -57.02 143.82 36.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 52' ' ' PHE . 22.2 m-70 -83.75 -63.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 51' ' ' HIS . 30.6 m-85 -35.7 -39.98 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -54.51 161.16 1.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.435 ' CE3' HD12 ' A' ' 65' ' ' ILE . 11.8 m95 -91.34 139.87 30.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.648 ' CD2' ' HB2' ' A' ' 68' ' ' ALA . 54.8 m0 -112.11 174.37 5.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -120.87 112.44 18.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -124.56 -178.25 15.28 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -130.15 132.34 46.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.821 0.343 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 35' ' ' ASN . 21.7 tp -141.95 144.29 33.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 44.01 47.68 7.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.08 37.98 92.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -134.23 172.5 12.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.913 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 m -142.75 139.33 31.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -176.61 176.25 47.83 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.519 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.435 HD12 ' CE3' ' A' ' 54' ' ' TRP . 6.0 pt -98.72 155.6 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.886 0.374 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.602 ' CE1' HG21 ' A' ' 42' ' ' ILE . 50.5 p90 -168.07 152.09 6.03 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.628 0.728 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 121.48 8.17 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.355 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.648 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . . . -61.91 -11.26 12.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -71.69 -22.9 61.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -87.52 -5.4 58.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.506 HG11 ' CE2' ' A' ' 66' ' ' PHE . 3.5 m -123.65 170.21 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.159 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.555 ' HB ' HD21 ' A' ' 23' ' ' LEU . 8.7 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.193 0 CA-C-O 120.73 0.221 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mt -117.8 153.5 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.161 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -112.48 127.31 56.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.2 m -135.83 149.64 28.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.3 m -106.17 117.72 34.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.88 109.76 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.088 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.514 HD21 ' CG2' ' A' ' 72' ' ' THR . 83.0 mt -64.84 -33.69 76.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.401 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 17.7 m-85 -140.81 169.88 16.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 96.4 p -75.0 166.25 23.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 52.1 t80 -162.84 157.39 21.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -140.78 105.42 4.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -101.04 -176.73 3.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.85 0.357 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.8 tp -120.08 148.99 42.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.458 ' O ' HD23 ' A' ' 59' ' ' LEU . 38.3 m-80 -112.94 119.06 36.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 51.5 p90 -140.58 177.41 8.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -137.23 153.78 50.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.401 ' HB2' ' HA ' ' A' ' 24' ' ' TYR . . . -49.4 104.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.08 -31.81 4.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.84 127.19 30.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.7 mmt-85 -78.07 137.73 38.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.576 HG21 ' CE2' ' A' ' 66' ' ' PHE . 19.6 mt -118.66 118.6 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.5 m -74.25 94.52 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.07 117.4 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.425 HD13 ' HD2' ' A' ' 58' ' ' LYS . 3.6 pt -102.41 -38.43 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.9 t -141.38 107.05 5.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.538 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -135.37 162.36 32.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 58.7 p -108.26 172.26 6.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -61.03 -46.43 90.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.4 m -63.32 145.69 55.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.678 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 30.8 p-80 -90.88 -56.11 3.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -40.44 -42.92 1.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.37 159.33 4.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -85.55 143.12 28.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.538 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.8 m0 -116.13 171.29 7.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -118.55 113.57 21.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.86 -178.14 15.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.53 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.425 ' HD2' HD13 ' A' ' 45' ' ' ILE . 26.4 mtpt -128.32 138.28 52.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.858 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 35' ' ' ASN . 11.1 tp -143.69 128.39 18.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 49.19 32.37 4.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.82 -25.67 13.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.503 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -73.23 148.6 43.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.899 0.381 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.2 m -130.71 143.02 50.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.21 173.73 43.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.444 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.0 pt -92.32 156.75 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.392 . . . . 0.0 111.058 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.576 ' CE2' HG21 ' A' ' 42' ' ' ILE . 48.6 p90 -165.96 152.57 8.74 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.666 0.746 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 121.46 8.15 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -59.27 -23.91 62.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -64.32 -12.63 43.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -95.25 0.5 53.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.1 m -134.29 168.2 24.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.514 ' CG2' HD21 ' A' ' 23' ' ' LEU . 14.7 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.724 0.219 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.8 mt -123.49 157.28 29.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -114.96 122.32 45.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.4 m -124.9 144.45 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.8 m -99.88 120.44 39.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.178 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . -62.63 111.91 2.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.477 HD21 ' CG2' ' A' ' 72' ' ' THR . 55.3 mt -70.18 -29.18 65.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.428 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 25.8 m-85 -142.91 156.9 44.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.4 m -71.92 152.47 42.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 79.3 t80 -147.42 162.17 39.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.46 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 29.8 mt-10 -144.55 107.69 4.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -107.21 -177.19 3.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.4 tp -120.18 144.0 47.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.466 ' O ' HD23 ' A' ' 59' ' ' LEU . 4.4 m120 -111.12 122.29 47.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.568 ' HB3' HD22 ' A' ' 59' ' ' LEU . 49.0 p90 -140.35 174.71 10.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -128.08 159.76 34.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.428 ' HB2' ' HA ' ' A' ' 24' ' ' TYR . . . -59.57 104.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 22' ' ' ALA . . . 125.13 -33.24 3.73 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.56 138.95 57.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 110.841 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.467 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -89.7 127.28 35.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.471 HG21 ' CE2' ' A' ' 66' ' ' PHE . 15.5 mt -108.82 127.59 65.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.6 m -80.22 99.54 7.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.3 t -65.17 115.68 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.7 pt -104.64 -36.26 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.6 t -142.5 107.86 5.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.484 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 4.3 ptmm? -138.33 170.23 16.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.8 p -117.26 -179.4 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -70.16 -43.86 69.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 72.8 m -65.9 146.48 54.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.504 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 10.9 m170 -88.26 -62.43 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.416 ' C ' ' O ' ' A' ' 51' ' ' HIS . 6.7 t80 -36.5 -40.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -56.0 157.39 4.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.407 ' CE3' HD12 ' A' ' 65' ' ' ILE . 11.3 m95 -87.58 138.36 31.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.484 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.9 m0 -111.97 173.63 6.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -122.26 116.87 24.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.98 -178.62 15.46 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.479 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -125.7 132.57 52.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.568 HD22 ' HB3' ' A' ' 36' ' ' PHE . 15.6 tp -144.92 144.88 31.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 45.23 41.18 5.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.76 35.52 92.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -131.56 173.34 11.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 110.959 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.3 m -143.67 140.33 30.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.15 -176.52 46.98 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.407 HD12 ' CE3' ' A' ' 54' ' ' TRP . 7.7 pt -105.1 151.57 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.471 ' CE2' HG21 ' A' ' 42' ' ' ILE . 47.5 p90 -161.54 152.56 15.31 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.474 ' HG2' ' CD1' ' A' ' 70' ' ' TYR . 53.8 Cg_endo -69.76 123.01 9.68 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.667 2.245 . . . . 0.0 112.35 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -59.23 -21.2 59.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -65.33 -16.09 63.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.474 ' CD1' ' HG2' ' A' ' 67' ' ' PRO . 10.3 m-85 -91.71 -1.74 57.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.5 m -131.29 175.34 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.477 ' CG2' HD21 ' A' ' 23' ' ' LEU . 11.4 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.177 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.707 0.211 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.53 HD12 ' HE3' ' A' ' 47' ' ' LYS . 6.7 mt -121.79 146.61 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.149 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -105.04 121.94 44.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.1 m -126.6 149.76 31.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -106.0 121.02 43.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.87 107.97 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 70' ' ' TYR . 61.4 mt -61.56 -30.62 70.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -143.81 166.21 25.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 97.9 p -76.12 157.69 32.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 73.7 t80 -156.45 153.14 28.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -138.96 107.02 5.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.475 -179.94 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.85 -175.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.405 ' HB2' ' CA ' ' A' ' 64' ' ' GLY . 16.0 tp -120.13 152.69 37.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.523 ' O ' HD23 ' A' ' 59' ' ' LEU . 29.6 m-80 -116.52 120.43 38.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.54 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 42.3 p90 -142.36 174.11 10.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -130.78 157.86 41.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.71 104.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.47 -35.69 3.65 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.508 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -53.59 128.76 30.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -81.84 128.71 34.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.514 HG21 ' CE2' ' A' ' 66' ' ' PHE . 17.8 mt -110.77 127.6 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.0 m -80.7 99.13 8.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.47 115.14 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.168 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.2 pt -103.72 -38.05 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -145.13 115.83 7.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.53 ' HE3' HD12 ' A' ' 18' ' ' ILE . 12.4 pttp -137.22 178.3 7.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 74.7 p -121.51 171.61 8.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -78.65 47.84 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -163.33 139.71 7.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.501 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 30.6 p-80 -81.95 -54.37 5.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -41.87 -39.84 1.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.76 163.71 16.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 12.5 m95 -92.18 136.25 33.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.959 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.519 ' CG ' ' HB2' ' A' ' 47' ' ' LYS . 54.9 m0 -109.76 170.38 8.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -117.43 115.11 24.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -127.9 176.57 17.99 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.594 ' HG3' HG23 ' A' ' 63' ' ' THR . 21.1 mtpt -124.17 137.25 54.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.761 0.315 . . . . 0.0 110.947 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 35' ' ' ASN . 10.5 tp -141.83 128.7 20.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.437 ' HG2' ' CD1' ' A' ' 59' ' ' LEU . 45.3 mmm-85 45.96 43.58 10.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.64 -24.81 4.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.478 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -73.37 159.7 32.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.917 0.389 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.594 HG23 ' HG3' ' A' ' 58' ' ' LYS . 3.7 m -146.24 142.16 28.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.405 ' CA ' ' HB2' ' A' ' 34' ' ' LEU . . . 178.51 175.22 45.43 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.6 pt -90.83 152.98 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 0.0 111.154 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.514 ' CE2' HG21 ' A' ' 42' ' ' ILE . 49.3 p90 -163.56 152.55 12.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.627 0.727 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.543 ' HB2' ' ND2' ' A' ' 69' ' ' ASN . 54.0 Cg_endo -69.69 122.66 9.36 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.254 . . . . 0.0 112.36 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -59.9 -18.75 47.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.096 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.543 ' ND2' ' HB2' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -70.3 -14.46 62.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.418 ' O ' ' N ' ' A' ' 23' ' ' LEU . 4.2 m-85 -91.3 -10.15 42.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 m -127.11 -178.18 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 -179.94 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.49 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.829 0.262 . . . . 0.0 112.304 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 19' ' ' GLU . 5.4 mt -121.04 161.94 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.412 ' N ' HG22 ' A' ' 18' ' ' ILE . 33.7 mt-10 -116.16 122.39 44.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.7 m -128.88 141.26 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.7 m -97.0 119.13 34.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 37' ' ' GLN . . . -61.93 108.54 1.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.618 HD21 ' CG2' ' A' ' 72' ' ' THR . 53.9 mt -65.44 -28.68 69.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -142.1 169.55 17.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.1 p -77.57 162.97 26.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.582 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 51.1 t80 -151.9 164.89 36.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.516 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 36.9 mt-10 -152.05 110.49 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.458 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -106.21 -175.16 2.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.854 0.359 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.1 tp -122.13 153.7 38.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -119.4 118.88 32.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.582 ' CZ ' ' CB ' ' A' ' 26' ' ' PHE . 53.9 p90 -139.66 175.35 9.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.44 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 3.1 mm100 -133.0 164.26 27.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.31 103.67 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.95 -26.95 6.62 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.56 129.1 38.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.741 0.305 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.423 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 1.5 mpp_? -80.47 127.71 32.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.436 HG21 ' CE1' ' A' ' 66' ' ' PHE . 15.4 mt -109.83 119.36 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.0 m -75.42 97.96 3.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 17' ' ' PRO . 41.9 t -66.44 120.13 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.663 HD13 ' HD2' ' A' ' 58' ' ' LYS . 2.4 pt -103.95 -36.66 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -144.28 107.19 4.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.531 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -135.91 -177.38 4.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.4 p -124.28 156.46 36.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -82.43 63.49 6.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.0 m -173.66 133.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -76.54 -178.45 4.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.471 ' CG ' ' O ' ' A' ' 52' ' ' PHE . 74.4 t80 59.17 31.67 21.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -139.16 156.78 46.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 23.4 m95 -87.8 130.52 34.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.531 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.7 m0 -113.34 171.98 7.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -115.57 113.28 23.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -127.38 179.68 16.28 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.495 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.663 ' HD2' HD13 ' A' ' 45' ' ' ILE . 10.5 mtpp -129.16 139.89 51.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 55.6 tp -141.38 128.85 21.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 46.44 35.2 2.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.92 -28.39 8.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -67.54 163.82 20.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.44 HG23 ' HG3' ' A' ' 58' ' ' LYS . 4.7 m -148.34 142.86 26.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.26 -171.08 41.97 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.529 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.8 pt -107.77 147.45 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 111.121 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.436 ' CE1' HG21 ' A' ' 42' ' ' ILE . 47.1 p90 -158.12 151.73 19.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.654 0.74 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 123.85 10.48 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.656 2.238 . . . . 0.0 112.307 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.415 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . . . -56.87 -30.79 64.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -59.99 -17.33 37.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -89.78 0.34 57.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 19.2 m -136.01 170.21 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.618 ' CG2' HD21 ' A' ' 23' ' ' LEU . 14.7 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.72 0.217 . . . . 0.0 112.38 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.6 mt -111.89 151.56 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -113.98 125.79 54.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.1 m -132.13 150.76 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 m -101.82 127.9 48.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.69 113.81 5.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.78 -29.8 67.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -142.17 160.49 40.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.8 m -74.86 154.65 38.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.844 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 78.3 t80 -152.58 156.83 40.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -142.54 107.92 5.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.431 -179.937 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.82 -179.04 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.816 0.341 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 tp -121.69 139.32 53.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -106.28 121.54 44.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 31.2 p90 -135.35 177.83 7.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -133.81 151.44 51.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.3 104.03 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.43 -35.42 3.61 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.451 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.73 126.96 23.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.784 0.326 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.422 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 2.0 mpp_? -81.0 123.52 28.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.624 HG21 ' CE1' ' A' ' 66' ' ' PHE . 18.6 mt -106.83 123.69 62.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.3 m -80.49 98.55 7.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 47' ' ' LYS . 59.9 t -66.33 117.11 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.43 HD13 ' HD2' ' A' ' 58' ' ' LYS . 3.6 pt -103.92 -37.0 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -138.46 105.23 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.821 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.53 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 22.1 pttt -133.53 169.62 16.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.5 p -114.26 175.93 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.42 -45.45 87.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.7 p -70.19 149.31 47.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.448 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 32.8 m80 -91.45 -56.4 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 51' ' ' HIS . 14.8 t80 -36.58 -43.0 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.35 162.13 2.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.479 ' CE3' HD12 ' A' ' 65' ' ' ILE . 11.5 m95 -88.22 136.64 32.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.53 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.5 m0 -110.1 171.12 7.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -121.86 119.31 31.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -130.62 -171.94 13.02 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.43 ' HD2' HD13 ' A' ' 45' ' ' ILE . 22.3 mtpt -129.78 139.6 51.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.0 tp -145.45 129.06 17.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 47.0 54.1 9.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 57.91 43.65 94.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -137.21 166.56 23.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.924 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.1 m -142.21 138.28 31.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.28 175.45 47.14 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.479 HD12 ' CE3' ' A' ' 54' ' ' TRP . 6.7 pt -99.72 150.52 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.893 0.378 . . . . 0.0 111.103 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.624 ' CE1' HG21 ' A' ' 42' ' ' ILE . 50.7 p90 -159.91 152.54 17.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.644 0.735 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 121.55 8.24 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -60.09 -26.37 66.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -64.12 -11.1 26.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -95.78 -6.22 40.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.2 m -124.7 178.63 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.155 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.768 0.237 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.4 mt -124.11 153.23 30.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -110.36 123.74 50.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.1 m -129.65 143.35 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.0 m -97.19 120.53 37.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.89 109.65 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.614 HD21 ' HB ' ' A' ' 72' ' ' THR . 58.8 mt -65.27 -31.93 73.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -140.1 162.04 36.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.9 t -74.35 163.09 28.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.571 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 67.7 t80 -158.15 161.11 37.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 18.0 mt-10 -142.27 108.48 5.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -111.62 -177.49 3.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.836 0.35 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.4 tp -120.27 146.62 45.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.421 ' O ' HD23 ' A' ' 59' ' ' LEU . 3.4 m-80 -112.0 121.28 44.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 40.2 p90 -138.36 176.98 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -135.09 151.25 50.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.59 104.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.35 -34.95 3.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.15 131.12 50.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.61 127.96 33.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.808 HG21 ' CE2' ' A' ' 66' ' ' PHE . 18.0 mt -109.76 114.27 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.6 m -68.87 96.27 0.75 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.153 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.0 t -67.96 115.16 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.408 HD13 ' HD2' ' A' ' 58' ' ' LYS . 3.5 pt -102.52 -38.37 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.152 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -138.35 108.56 6.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.535 ' HE2' ' CZ2' ' A' ' 55' ' ' TRP . 4.8 ptmm? -129.92 167.9 17.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.5 p -113.55 173.62 6.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.18 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -83.57 42.87 0.86 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.7 m -153.87 130.58 10.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.585 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 73.2 m80 -72.19 -63.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -38.68 -40.09 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.22 164.55 6.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.429 ' CH2' ' HD3' ' A' ' 67' ' ' PRO . 11.1 m95 -93.74 141.99 27.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.535 ' CZ2' ' HE2' ' A' ' 47' ' ' LYS . 54.5 m0 -113.31 175.64 5.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -124.7 114.8 19.79 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.33 -174.37 13.72 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.541 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.408 ' HD2' HD13 ' A' ' 45' ' ' ILE . 26.6 mtpt -129.04 132.9 47.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.484 HD22 ' HB3' ' A' ' 36' ' ' PHE . 8.0 tp -142.38 144.07 32.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.898 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 43.68 45.93 6.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.97 36.47 92.27 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.459 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -133.31 172.98 11.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 110.941 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.7 m -142.88 143.1 31.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.31 179.62 48.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.8 pt -101.21 153.09 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.808 ' CE2' HG21 ' A' ' 42' ' ' ILE . 44.9 p90 -162.67 152.47 13.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.633 0.73 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.439 ' HG2' ' CD1' ' A' ' 70' ' ' TYR . 53.7 Cg_endo -69.76 121.66 8.35 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.697 2.265 . . . . 0.0 112.299 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -56.3 -29.71 61.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -61.08 -11.69 9.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.439 ' CD1' ' HG2' ' A' ' 67' ' ' PRO . 9.8 m-85 -97.36 6.81 47.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 68' ' ' ALA . 17.3 m -138.09 177.91 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.614 ' HB ' HD21 ' A' ' 23' ' ' LEU . 3.9 t . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HB2' HG22 ' A' ' 43' ' ' THR . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 120.813 0.256 . . . . 0.0 112.307 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 19' ' ' GLU . 7.4 mt -122.28 158.43 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.401 ' N ' HG22 ' A' ' 18' ' ' ILE . 23.6 mt-10 -109.84 122.21 47.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.4 m -129.72 146.99 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.096 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.443 ' O ' HG22 ' A' ' 72' ' ' THR . 89.8 m -102.18 126.94 49.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . -69.21 112.5 5.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.409 HD21 ' CG2' ' A' ' 72' ' ' THR . 85.1 mt -69.76 -25.09 63.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -143.84 160.88 40.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m -72.32 160.17 32.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 79.3 t80 -154.32 160.98 42.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.439 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 19.8 mt-10 -144.17 107.24 4.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -106.82 -175.14 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 110.812 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.6 tp -120.29 142.36 49.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -108.95 124.72 51.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.581 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 43.3 p90 -143.3 172.75 12.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -129.52 153.21 48.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.79 103.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 22' ' ' ALA . . . 124.46 -35.78 3.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.43 130.28 44.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.745 0.307 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.413 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 1.6 mpp_? -83.54 130.36 35.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.529 HG21 ' CE1' ' A' ' 66' ' ' PHE . 18.5 mt -113.14 126.68 70.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.41 HG22 ' HB2' ' A' ' 17' ' ' PRO . 28.4 m -79.86 94.01 5.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.427 ' CG1' ' HB3' ' A' ' 47' ' ' LYS . 58.8 t -60.19 108.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.106 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.402 HG21 ' HD3' ' A' ' 58' ' ' LYS . 4.7 pt -94.55 -39.14 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 t -141.34 110.03 6.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.534 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 18.6 pttm -127.41 176.01 7.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 81.2 p -120.32 -179.77 4.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -85.96 17.95 3.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.9 m -128.07 135.1 49.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.51 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 11.2 m170 -77.16 -66.17 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -38.73 -38.64 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.23 166.6 2.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.495 ' CH2' ' HD3' ' A' ' 67' ' ' PRO . 11.3 m95 -96.92 134.84 39.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.534 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 53.0 m0 -109.22 172.72 6.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -118.63 119.38 34.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -131.34 177.08 18.78 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.586 ' HG3' HG23 ' A' ' 63' ' ' THR . 7.7 mtpp -122.31 134.97 54.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.34 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.49 ' CD1' ' HG2' ' A' ' 60' ' ' ARG . 6.0 tp -137.56 127.93 26.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.49 ' HG2' ' CD1' ' A' ' 59' ' ' LEU . 20.7 mmm180 44.23 38.28 2.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.63 -28.67 6.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 59' ' ' LEU . 12.3 mp0 -66.87 151.23 47.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.586 HG23 ' HG3' ' A' ' 58' ' ' LYS . 1.3 m -133.63 143.76 48.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 172.47 -179.62 43.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.506 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.1 pt -100.24 158.51 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 111.092 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.536 ' CE2' HG11 ' A' ' 71' ' ' VAL . 50.8 p90 -165.12 152.63 9.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.706 0.765 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.524 ' HB2' ' ND2' ' A' ' 69' ' ' ASN . 54.0 Cg_endo -69.78 122.05 8.73 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -54.34 -33.14 58.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.048 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.524 ' ND2' ' HB2' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -57.33 -16.18 8.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -94.83 12.08 29.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.536 HG11 ' CE2' ' A' ' 66' ' ' PHE . 16.0 m -145.89 170.55 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.443 HG22 ' O ' ' A' ' 21' ' ' THR . 6.7 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.789 0.246 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.7 mt -125.59 145.35 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -102.63 126.47 49.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.0 m -135.13 147.33 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -101.29 124.71 47.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.74 109.1 2.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.403 HD21 ' CG2' ' A' ' 72' ' ' THR . 27.4 mt -65.43 -31.28 72.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -137.26 160.45 38.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 t -74.16 165.1 25.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 55.8 t80 -164.17 135.01 4.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -122.88 99.37 6.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.91 -177.12 4.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.0 tp -120.86 145.43 47.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.462 ' O ' HD23 ' A' ' 59' ' ' LEU . 3.3 m-80 -109.98 120.0 41.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 47.0 p90 -143.13 168.6 19.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -127.06 156.13 42.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.44 104.3 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.84 -32.6 4.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.54 137.84 57.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.834 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.1 128.71 35.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.881 HG21 ' CE2' ' A' ' 66' ' ' PHE . 18.2 mt -112.87 122.13 66.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.6 m -77.1 103.52 7.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.409 ' CG1' ' HB3' ' A' ' 47' ' ' LYS . 61.7 t -68.06 106.54 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.135 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.457 HD13 ' HD2' ' A' ' 58' ' ' LYS . 5.3 pt -95.05 -37.94 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 t -139.77 107.37 5.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.509 ' HE3' ' CH2' ' A' ' 55' ' ' TRP . 3.7 ptmm? -136.06 169.4 17.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.4 p -117.35 178.19 4.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -65.95 -50.95 62.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.1 m -61.37 155.67 20.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 52' ' ' PHE . 7.7 p-80 -96.78 -62.21 1.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.436 ' C ' ' O ' ' A' ' 51' ' ' HIS . 14.6 m-85 -35.1 -39.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.54 166.91 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.491 ' CE3' HD12 ' A' ' 65' ' ' ILE . 11.8 m95 -95.75 139.09 32.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.588 ' CD2' ' HB2' ' A' ' 68' ' ' ALA . 54.9 m0 -113.62 171.49 7.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -122.38 117.08 25.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.69 179.76 16.41 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.52 ' HG3' HG23 ' A' ' 63' ' ' THR . 8.2 mtpp -125.22 137.79 54.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 35' ' ' ASN . 19.0 tp -138.1 128.41 26.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.3 mtp85 50.2 29.57 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.35 -24.8 27.44 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -69.65 166.42 19.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.938 0.399 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.52 HG23 ' HG3' ' A' ' 58' ' ' LYS . 2.6 m -145.69 140.95 27.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 179.1 178.82 48.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.527 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.491 HD12 ' CE3' ' A' ' 54' ' ' TRP . 7.6 pt -97.59 153.08 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.918 0.39 . . . . 0.0 111.098 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.881 ' CE2' HG21 ' A' ' 42' ' ' ILE . 31.3 p90 -163.74 152.53 11.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.631 0.729 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 121.49 8.17 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.588 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . . . -59.15 -20.08 50.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -68.95 -15.1 63.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -91.09 -4.69 56.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.9 m -127.27 -177.47 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.106 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.403 ' CG2' HD21 ' A' ' 23' ' ' LEU . 12.7 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.186 0 CA-C-O 120.754 0.231 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.2 mt -123.45 154.32 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -110.42 123.89 50.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.7 m -131.54 143.03 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.2 m -100.02 119.21 37.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.7 110.9 1.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.498 HD21 ' CG2' ' A' ' 72' ' ' THR . 72.8 mt -67.67 -33.22 74.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -138.37 160.1 40.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.7 t -70.44 166.33 20.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.55 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 67.4 t80 -159.58 157.38 29.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.883 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -139.03 105.54 5.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.411 ' H ' ' ND2' ' A' ' 35' ' ' ASN . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.435 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -107.19 -178.16 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.329 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.434 HD11 ' HB3' ' A' ' 59' ' ' LEU . 9.1 tp -120.63 141.58 50.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.6 ' O ' HD23 ' A' ' 59' ' ' LEU . 3.2 m-80 -109.06 126.87 53.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.556 ' HB3' HD22 ' A' ' 59' ' ' LEU . 36.3 p90 -142.68 179.6 6.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -135.93 156.55 48.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.9 104.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.78 -31.55 4.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.463 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.17 131.56 50.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.861 0.362 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -82.72 134.04 35.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.638 HG21 ' CE2' ' A' ' 66' ' ' PHE . 18.3 mt -116.91 116.72 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 87.1 m -72.34 100.05 2.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.565 HG11 ' HD3' ' A' ' 47' ' ' LYS . 68.2 t -64.52 113.11 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.6 pt -99.79 -38.79 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.19 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.7 t -141.51 106.33 4.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.565 ' HD3' HG11 ' A' ' 44' ' ' VAL . 25.0 pttt -136.26 167.95 20.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.1 p -114.62 -179.13 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.153 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -85.34 38.47 0.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.3 m -149.92 127.34 11.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.801 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 17.5 p-80 -74.84 -56.11 5.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.449 ' H ' ' CD2' ' A' ' 51' ' ' HIS . 22.5 t80 -38.81 -43.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -65.54 163.26 16.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.465 ' CE3' HD12 ' A' ' 65' ' ' ILE . 11.7 m95 -88.94 141.24 28.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.538 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.5 m0 -117.16 171.69 7.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.979 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -119.43 115.27 23.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.64 178.5 17.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.504 ' HG3' HG23 ' A' ' 63' ' ' THR . 16.9 mtpt -120.99 136.42 54.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.6 HD23 ' O ' ' A' ' 35' ' ' ASN . 15.9 tp -134.45 128.18 32.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.457 ' HD2' ' N ' ' A' ' 60' ' ' ARG . 0.5 OUTLIER 44.24 34.07 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.79 -31.36 7.3 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' LEU . 13.6 mm100 -66.67 165.0 15.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.939 0.4 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.504 HG23 ' HG3' ' A' ' 58' ' ' LYS . 2.2 m -144.81 145.44 31.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.7 -176.91 47.55 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.517 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.465 HD12 ' CE3' ' A' ' 54' ' ' TRP . 9.7 pt -100.93 153.83 4.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.873 0.368 . . . . 0.0 111.114 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.638 ' CE2' HG21 ' A' ' 42' ' ' ILE . 49.4 p90 -163.61 152.71 12.18 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.684 0.754 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.425 ' HG2' ' CD1' ' A' ' 70' ' ' TYR . 53.8 Cg_endo -69.79 122.38 9.05 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.246 . . . . 0.0 112.356 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.801 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -57.19 -25.84 59.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.074 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -64.61 -11.56 36.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.425 ' CD1' ' HG2' ' A' ' 67' ' ' PRO . 6.3 m-85 -95.87 3.86 53.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 68' ' ' ALA . 15.5 m -135.83 173.17 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.179 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.498 ' CG2' HD21 ' A' ' 23' ' ' LEU . 14.3 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.202 0 CA-C-O 120.769 0.237 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.462 HD12 ' HD3' ' A' ' 47' ' ' LYS . 5.2 mt -125.39 154.81 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -108.52 126.58 53.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.8 m -134.76 138.61 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.7 m -96.93 127.78 43.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . -68.43 105.1 2.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.081 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.9 mt -61.39 -33.18 73.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.421 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 9.7 m-85 -139.45 174.86 10.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.8 p -82.41 158.92 23.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.528 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 78.4 t80 -151.85 158.99 43.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.402 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 18.0 mt-10 -141.26 105.09 4.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -108.18 -176.63 3.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.374 . . . . 0.0 110.82 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.546 HD11 ' HB3' ' A' ' 59' ' ' LEU . 7.0 tp -121.69 138.99 54.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -105.26 124.55 49.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.528 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 45.5 p90 -138.55 176.14 8.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -131.85 154.51 49.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.421 ' HB2' ' HA ' ' A' ' 24' ' ' TYR . . . -51.35 104.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.075 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' ALA . . . 123.25 -34.96 3.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -58.82 132.09 52.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -83.22 135.32 34.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.486 HG21 ' CE1' ' A' ' 66' ' ' PHE . 18.8 mt -118.49 115.59 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.4 m -71.44 98.05 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 49.6 t -65.68 123.31 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.5 pt -109.68 -37.53 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 t -140.68 107.05 5.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.517 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 5.9 ptmm? -130.71 173.59 10.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.4 p -119.87 169.95 9.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -79.59 47.1 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.1 m -158.11 133.15 8.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.425 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 7.5 m-70 -75.97 -60.23 2.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -39.41 -42.06 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -62.57 165.52 6.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -96.97 137.73 35.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.517 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 53.9 m0 -111.05 171.43 7.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -120.28 114.11 21.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.06 -173.21 13.64 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -127.08 137.73 53.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.546 ' HB3' HD11 ' A' ' 34' ' ' LEU . 5.7 tp -140.99 127.75 20.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.492 ' HG2' ' CD1' ' A' ' 59' ' ' LEU . 21.3 mmm-85 44.41 45.78 7.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.12 -25.78 4.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.524 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -71.54 166.43 21.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.93 0.395 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.2 m -151.43 145.67 25.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.26 -172.78 45.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.3 pt -102.34 153.75 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.359 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.486 ' CE1' HG21 ' A' ' 42' ' ' ILE . 49.3 p90 -164.75 152.54 10.33 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.737 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 122.95 9.61 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.235 . . . . 0.0 112.293 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -59.32 -18.79 40.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.053 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -69.39 -13.49 62.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -95.08 -4.46 46.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.422 HG11 ' CE2' ' A' ' 66' ' ' PHE . 14.0 m -130.63 -178.06 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.2 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.477 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.738 0.224 . . . . 0.0 112.327 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 19' ' ' GLU . 9.6 mt -109.96 161.66 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.449 ' N ' HG22 ' A' ' 18' ' ' ILE . 25.4 mt-10 -116.63 123.14 46.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.8 m -129.59 145.55 35.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.4 m -99.49 121.93 41.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . -60.86 112.61 2.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.453 HD21 ' CG2' ' A' ' 72' ' ' THR . 85.4 mt -69.67 -35.52 75.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.946 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -138.93 166.35 24.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.1 p -73.47 159.21 33.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.839 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 75.6 t80 -155.77 158.77 38.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 8.3 mt-10 -143.35 107.03 4.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -108.62 -177.47 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.7 tp -120.63 147.91 44.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.487 ' O ' HD23 ' A' ' 59' ' ' LEU . 20.5 m-80 -110.18 122.85 48.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 53.9 p90 -142.0 172.21 12.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -129.43 159.99 34.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.9 104.39 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' ALA . . . 121.96 -28.51 5.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.52 127.56 31.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.831 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.1 mmm-85 -80.75 126.29 31.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.466 HG21 ' CE2' ' A' ' 66' ' ' PHE . 15.2 mt -110.67 122.81 65.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.45 HG22 ' HB2' ' A' ' 17' ' ' PRO . 23.0 m -79.33 97.23 6.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 17' ' ' PRO . 51.5 t -63.06 113.11 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.1 pt -97.04 -37.28 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 t -142.89 110.2 5.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.515 ' HB2' ' CG ' ' A' ' 55' ' ' TRP . 13.0 pttm -128.55 179.65 5.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.0 p -125.62 -179.12 4.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.162 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.61 -62.58 1.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.6 t -58.15 142.53 46.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.474 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 34.0 p-80 -82.4 -56.82 3.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' HIS . 25.2 m-85 -36.98 -41.53 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -55.65 165.1 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.556 ' CH2' ' HD3' ' A' ' 67' ' ' PRO . 11.5 m95 -92.51 139.39 30.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.515 ' CG ' ' HB2' ' A' ' 47' ' ' LYS . 54.6 m0 -111.24 170.93 7.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -118.99 112.29 19.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.14 -177.12 14.78 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -127.42 138.14 52.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.492 ' CD1' ' HG2' ' A' ' 60' ' ' ARG . 5.3 tp -142.29 128.07 19.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.914 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.492 ' HG2' ' CD1' ' A' ' 59' ' ' LEU . 16.3 mmm-85 44.32 54.23 6.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.84 42.67 99.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -133.14 167.28 20.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.7 m -146.77 137.3 23.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 179.24 173.92 44.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.501 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.6 pt -99.79 147.38 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 111.131 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.487 ' HA ' ' CE3' ' A' ' 54' ' ' TRP . 49.4 p90 -157.24 152.62 21.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.653 0.739 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.556 ' HD3' ' CH2' ' A' ' 54' ' ' TRP . 53.7 Cg_endo -69.82 121.5 8.17 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.628 2.219 . . . . 0.0 112.344 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -58.51 -20.46 46.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -68.72 -11.69 60.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -96.02 -2.52 46.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.5 m -130.36 176.35 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.162 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.453 ' CG2' HD21 ' A' ' 23' ' ' LEU . 9.0 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -50.98 135.86 23.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 110.84 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.6 p -115.81 158.46 22.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.22 -79.52 1.33 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -128.84 101.5 6.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.871 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -147.43 156.43 42.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.67 179.24 48.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -129.56 40.05 3.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.741 0.305 . . . . 0.0 110.83 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -91.22 89.6 7.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.1 ttp85 -152.71 158.71 42.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.27 133.41 31.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.91 120.28 2.66 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -99.85 122.2 42.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.463 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -125.14 87.27 2.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -71.45 -28.44 63.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -158.93 144.6 12.1 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.59 0.71 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -178.51 2.38 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.439 HD12 ' HD3' ' A' ' 47' ' ' LYS . 3.2 mt -118.11 153.49 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -109.68 122.9 48.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.4 m -128.5 147.45 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.2 m -104.0 116.97 33.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.91 112.05 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.645 HD21 ' HB ' ' A' ' 72' ' ' THR . 40.8 mt -70.09 -30.43 67.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -142.41 157.97 44.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.9 m -72.77 154.58 40.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.914 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 81.5 t80 -149.44 148.55 29.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -129.18 102.32 6.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.01 109.92 1.92 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -63.42 -30.67 71.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.76 0.314 . . . . 0.0 110.893 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -103.75 159.27 29.83 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.636 0.732 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -19.08 36.76 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.694 2.263 . . . . 0.0 112.385 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.35 -14.48 68.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -78.87 -175.28 4.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.831 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.1 tp -120.31 153.18 36.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.471 ' O ' HD23 ' A' ' 59' ' ' LEU . 33.6 m-80 -118.02 117.63 29.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 42.9 p90 -141.3 176.13 9.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -138.45 152.2 48.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.09 105.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.07 -35.97 3.22 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.48 127.46 32.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.9 mmm-85 -81.65 129.11 34.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.516 HG21 ' CE1' ' A' ' 66' ' ' PHE . 14.9 mt -111.0 128.74 67.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.9 m -82.19 101.9 10.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.4 t -67.62 106.94 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.7 pt -94.87 -38.16 8.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 t -143.24 105.33 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.538 ' HE3' ' CZ2' ' A' ' 55' ' ' TRP . 11.0 ptmt -130.59 170.01 14.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 60.8 p -112.96 175.94 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -89.4 44.36 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.2 m -146.57 132.14 18.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 53.0 m80 -80.43 -27.73 37.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -89.51 46.84 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -149.98 165.19 33.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -91.59 133.3 35.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.538 ' CZ2' ' HE3' ' A' ' 47' ' ' LYS . 51.3 m0 -110.39 174.11 6.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 56.0 tt0 -120.18 112.05 18.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -124.68 -176.17 14.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -130.08 133.97 47.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.322 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 35' ' ' ASN . 10.8 tp -143.39 145.34 32.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 41.56 45.11 2.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.42 37.29 94.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -132.45 175.72 9.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.919 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.7 m -147.44 140.75 25.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.09 177.05 48.31 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.2 pt -99.76 148.6 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.88 0.371 . . . . 0.0 111.12 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.516 ' CE1' HG21 ' A' ' 42' ' ' ILE . 50.1 p90 -159.35 152.41 18.37 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.673 0.749 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.42 ' HG2' ' CD1' ' A' ' 70' ' ' TYR . 54.1 Cg_endo -69.73 122.97 9.65 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.527 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . . . -58.54 -25.63 62.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.074 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -64.38 -11.41 32.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.42 ' CD1' ' HG2' ' A' ' 67' ' ' PRO . 6.2 m-85 -96.97 2.05 51.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.9 m -133.37 -179.46 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.645 ' HB ' HD21 ' A' ' 23' ' ' LEU . 9.2 t -151.09 152.3 33.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 7.9 mtt -87.09 114.35 23.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -111.16 117.84 34.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.5 p -133.9 156.53 47.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.83 -158.29 1.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 121.97 8.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.8 p -83.85 -31.43 25.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.5 t -98.89 -43.02 6.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.826 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m -85.99 158.09 19.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 0.0 110.839 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.5 t -166.96 139.11 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.17 76.82 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.1 p -98.8 94.55 6.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.8 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.8 p -154.84 167.14 31.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.99 65.71 0.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.487 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -134.83 81.63 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.734 0.302 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -54.8 100.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -63.85 148.57 49.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.8 t -61.32 -44.96 99.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.92 -166.36 15.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -91.11 138.19 31.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.473 HD11 ' C ' ' A' ' 16' ' ' GLN . 1.0 OUTLIER -127.98 101.19 6.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -77.75 -38.89 45.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.473 ' C ' HD11 ' A' ' 14' ' ' LEU . 16.0 pt20 -148.62 147.01 23.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.553 0.692 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -175.09 1.04 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.707 2.271 . . . . 0.0 112.343 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.6 mt -121.28 147.66 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -100.75 123.18 44.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.0 m -128.34 139.87 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.5 m -97.74 121.33 39.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.98 111.96 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.128 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.683 HD21 ' CG2' ' A' ' 72' ' ' THR . 39.3 mt -67.42 -32.4 73.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.438 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 20.9 m-85 -142.28 168.41 19.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.982 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 80.7 p -77.2 150.91 35.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 79.7 t80 -150.83 154.9 38.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -142.64 109.36 5.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.98 102.65 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -76.58 -26.23 54.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.72 0.295 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -102.53 155.53 36.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.555 0.693 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 109.91 2.43 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.729 2.286 . . . . 0.0 112.347 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.39 -24.26 6.24 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.509 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.88 179.84 0.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.857 0.36 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 tp -120.07 143.41 48.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -108.26 127.71 54.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 41.5 p90 -141.66 179.37 6.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 -133.86 154.76 50.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.438 ' HB2' ' HA ' ' A' ' 24' ' ' TYR . . . -52.67 103.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.113 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.32 -29.81 5.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.53 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.32 127.89 33.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 0.0 110.832 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -81.27 130.73 35.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.7 mt -111.9 131.04 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.2 m -83.02 96.71 8.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.427 HG11 ' HD2' ' A' ' 47' ' ' LYS . 61.1 t -64.55 110.99 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.136 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.414 HD13 ' HD2' ' A' ' 58' ' ' LYS . 5.2 pt -97.35 -38.0 7.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.3 t -142.82 114.2 7.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HD2' HG11 ' A' ' 44' ' ' VAL . 17.8 ptmt -130.45 164.92 23.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.8 p -110.16 176.83 4.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -88.09 60.34 5.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.5 t -169.86 142.49 2.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.64 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 17.4 m170 -75.91 -64.18 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -43.52 -52.97 5.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -42.92 155.8 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.45 ' CE3' HD12 ' A' ' 65' ' ' ILE . 10.9 m0 -91.39 141.85 28.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.427 ' CZ2' ' HE3' ' A' ' 47' ' ' LYS . 50.8 m0 -112.76 173.42 6.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -122.06 115.78 23.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -127.71 -178.22 15.23 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.414 ' HD2' HD13 ' A' ' 45' ' ' ILE . 7.2 mtpp -127.19 132.46 50.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.416 HD22 ' HB3' ' A' ' 36' ' ' PHE . 7.8 tp -143.06 144.28 32.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 43.34 46.41 5.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.41 42.23 97.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.5 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -138.04 168.68 19.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.379 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.7 m -138.36 137.99 37.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.179 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -178.89 172.38 44.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.45 HD12 ' CE3' ' A' ' 54' ' ' TRP . 5.8 pt -97.2 155.87 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 111.184 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -164.31 152.28 10.78 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.665 0.745 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 122.99 9.64 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.614 2.209 . . . . 0.0 112.353 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -59.7 -16.13 24.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -72.11 -13.37 61.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -94.82 -4.73 46.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.6 m -130.08 177.31 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.683 ' CG2' HD21 ' A' ' 23' ' ' LEU . 13.5 t -151.06 163.87 37.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 43.4 mtm -113.37 101.71 9.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -134.22 43.75 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 79.6 p -111.27 175.1 5.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -125.19 163.04 19.33 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 86.75 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.389 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 77.7 p -115.62 171.2 7.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.5 m -87.35 99.52 12.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.828 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p -167.37 128.31 1.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.867 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -172.44 171.45 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.82 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.27 164.54 10.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.509 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -55.59 166.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.908 0.385 . . . . 0.0 110.811 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 t -79.16 -60.14 2.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.849 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.59 44.05 53.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.522 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -104.72 98.99 8.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.745 0.307 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -167.25 120.98 0.98 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -129.67 143.05 50.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.1 m -69.52 -30.75 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.104 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.3 167.84 18.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -103.92 127.34 51.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.42 HD13 ' C ' ' A' ' 14' ' ' LEU . 1.6 tm? -107.69 90.36 3.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -69.43 -32.12 70.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.408 ' N ' HD13 ' A' ' 14' ' ' LEU . 17.4 pt20 -157.55 149.26 17.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.52 0.676 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -179.41 2.89 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.702 2.268 . . . . 0.0 112.339 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.4 mt -121.12 144.59 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -101.16 124.02 46.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.8 m -128.92 144.24 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.2 m -99.98 118.27 36.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.61 118.89 7.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.421 HD21 ' HB ' ' A' ' 72' ' ' THR . 73.2 mt -72.73 -35.47 67.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -136.81 157.46 46.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.1 t -70.22 162.15 28.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 61.5 t80 -160.26 157.56 28.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.4 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 11.4 mt-10 -140.67 106.98 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.2 102.54 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.544 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -64.54 -32.66 74.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 0.0 110.89 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -94.02 155.79 39.81 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.598 0.713 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 2.89 3.15 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -122.95 16.91 8.18 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -105.11 -178.19 3.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.786 0.326 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.4 tp -120.36 143.97 48.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -110.79 124.55 52.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.576 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 35.2 p90 -140.62 -179.87 6.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -132.71 165.74 23.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.96 104.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.82 -1.77 25.91 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.28 126.61 32.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.818 0.342 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -76.4 124.85 28.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.68 HG21 ' CE2' ' A' ' 66' ' ' PHE . 18.9 mt -111.96 116.41 52.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.8 m -70.92 94.31 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.05 109.97 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.3 pt -94.82 -39.56 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.3 t -140.54 113.25 8.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.524 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 26.7 pttt -137.73 167.56 21.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.1 p -114.79 177.31 4.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.181 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -83.75 39.85 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.3 p -150.52 124.07 9.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.706 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 7.3 p80 -70.89 -59.02 3.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -39.98 -37.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.98 161.39 26.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -87.47 138.15 31.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.524 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.4 m0 -112.45 170.15 8.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -118.14 116.52 27.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.05 -176.39 14.43 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.542 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -130.58 132.54 45.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.2 tp -144.03 144.16 31.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 44.98 42.85 6.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.49 37.37 94.58 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -133.01 171.59 13.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 m -141.78 139.92 32.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.68 173.34 45.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.9 pt -97.0 151.33 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.68 ' CE2' HG21 ' A' ' 42' ' ' ILE . 46.0 p90 -160.36 152.39 16.89 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.629 0.728 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 122.22 8.9 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.25 . . . . 0.0 112.319 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -57.49 -30.28 64.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -58.69 -14.23 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -96.84 11.09 37.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 68' ' ' ALA . 7.9 m -143.48 172.22 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.119 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.421 ' HB ' HD21 ' A' ' 23' ' ' LEU . 13.3 t -140.33 155.71 46.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 65.6 mtm -99.37 37.49 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -133.29 142.59 48.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.0 p -123.06 162.79 21.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.66 163.06 9.66 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 86.08 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.703 2.269 . . . . 0.0 112.342 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.8 p -82.06 165.22 20.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.1 m -106.65 -52.88 2.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 70.62 41.94 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.7 p -76.83 148.56 36.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.45 -168.25 1.54 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.462 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -161.78 105.83 1.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.915 0.388 . . . . 0.0 110.809 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -127.59 157.12 41.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.1 82.93 0.32 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -86.79 140.64 29.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.759 0.314 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -75.23 134.15 41.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -131.65 164.11 26.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 p -46.1 126.04 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.75 -153.85 27.56 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -156.17 138.38 14.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 14' ' ' LEU . 11.6 tp -124.69 35.84 4.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -41.12 -35.82 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -128.24 149.23 70.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.604 0.716 . . . . 0.0 110.85 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 167.44 24.43 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.365 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.8 mt -118.59 149.94 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -104.57 122.13 44.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.5 m -124.96 148.94 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.3 m -104.44 112.79 25.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.31 112.55 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.468 HD21 ' HB ' ' A' ' 72' ' ' THR . 57.3 mt -71.31 -31.23 67.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -143.0 160.35 40.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.7 p -71.75 161.41 31.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 62.0 t80 -161.18 153.04 19.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -138.15 106.73 5.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.3 102.0 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -76.75 -23.52 53.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.714 0.293 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -107.93 157.6 35.66 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.611 0.719 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 117.86 5.33 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.711 2.274 . . . . 0.0 112.37 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 117.87 -25.53 8.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.452 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.2 -176.95 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.843 0.354 . . . . 0.0 110.826 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.401 ' HG ' ' N ' ' A' ' 35' ' ' ASN . 23.3 tp -122.03 153.85 38.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.599 ' O ' HD23 ' A' ' 59' ' ' LEU . 39.4 m-80 -114.62 121.61 43.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 45.0 p90 -142.85 175.91 9.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -136.7 157.58 46.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.02 104.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.46 -32.2 4.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.46 131.86 51.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.412 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 1.8 mpp_? -85.32 121.09 27.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.631 HG21 ' CE1' ' A' ' 66' ' ' PHE . 17.5 mt -103.71 120.29 53.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.6 m -76.79 97.55 4.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.168 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.29 111.69 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.9 pt -98.0 -38.72 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 t -142.51 113.27 7.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.507 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 18.2 pttm -130.02 175.15 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 79.5 p -118.22 -179.59 3.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -87.06 44.08 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.6 m -162.27 135.22 5.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.634 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 2.1 p80 -78.47 -50.73 11.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -44.64 -39.79 5.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -66.83 166.31 13.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.468 ' CE3' HD12 ' A' ' 65' ' ' ILE . 11.6 m95 -92.43 139.06 30.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.507 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.5 m0 -111.52 170.37 8.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.956 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -115.43 113.15 23.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.47 -175.08 14.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.9 mtpt -132.86 134.51 44.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.321 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 35' ' ' ASN . 16.9 tp -143.51 146.83 33.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 40.69 46.65 2.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.73 39.25 96.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.519 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -135.68 174.38 10.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.4 m -144.32 141.47 29.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 179.43 170.41 41.18 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.468 HD12 ' CE3' ' A' ' 54' ' ' TRP . 7.9 pt -92.61 153.25 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.807 0.337 . . . . 0.0 111.175 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.631 ' CE1' HG21 ' A' ' 42' ' ' ILE . 51.1 p90 -163.74 152.41 11.73 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.659 0.742 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.408 ' HD3' ' CH2' ' A' ' 54' ' ' TRP . 53.7 Cg_endo -69.76 121.58 8.27 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.636 2.224 . . . . 0.0 112.367 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -58.98 -24.76 63.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.089 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -64.36 -12.23 40.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -98.13 5.53 48.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.6 m -137.47 172.82 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.468 ' HB ' HD21 ' A' ' 23' ' ' LEU . 13.4 t -139.52 130.67 26.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 62.5 mtm -84.22 82.43 8.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -86.9 108.08 18.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.7 m -95.99 99.05 10.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.96 149.06 16.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -176.34 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.704 2.27 . . . . 0.0 112.388 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.5 t -113.43 128.09 56.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.3 t -103.54 103.08 12.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.516 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 t -99.3 148.25 24.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.841 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -94.02 119.32 32.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.07 113.29 0.96 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -48.23 150.59 1.2 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.359 . . . . 0.0 110.883 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 t -133.32 139.17 46.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.0 103.67 1.26 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.498 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -76.94 124.1 27.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.689 0.281 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -115.26 92.89 4.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -84.13 148.22 26.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.652 ' O ' HG13 ' A' ' 11' ' ' VAL . 11.0 p -171.7 105.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.8 -163.95 23.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.479 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -172.71 128.8 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.907 0.384 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -115.95 84.54 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.07 -31.26 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -157.74 145.5 13.83 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.625 0.726 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 168.61 21.05 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 2.259 . . . . 0.0 112.326 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mt -115.2 147.54 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -110.39 124.57 51.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.8 m -127.1 153.02 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.4 m -108.09 112.01 24.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.92 114.98 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.412 HD21 ' HB ' ' A' ' 72' ' ' THR . 94.2 mt -70.07 -35.32 74.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -138.55 176.5 8.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.9 p -80.32 163.08 24.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.498 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 12.2 t80 -158.91 140.54 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.493 ' HA ' ' ND2' ' A' ' 35' ' ' ASN . 38.5 mt-10 -130.76 101.43 5.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.23 110.77 2.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.458 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -60.89 -30.89 70.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.686 0.279 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.42 ' HA ' ' NE2' ' A' ' 30' ' ' GLN . 6.1 mm-40 -106.28 161.0 24.21 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.605 0.717 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -20.52 34.85 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.233 . . . . 0.0 112.385 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.68 -18.34 70.79 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.444 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.0 179.4 7.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.415 ' O ' ' CE1' ' A' ' 26' ' ' PHE . 10.5 tp -121.0 141.38 50.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.493 ' ND2' ' HA ' ' A' ' 27' ' ' GLU . 4.8 m120 -108.72 121.41 44.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.498 ' CZ ' ' CB ' ' A' ' 26' ' ' PHE . 42.6 p90 -137.55 174.25 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -129.44 157.55 41.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.52 101.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.32 -34.2 3.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.49 130.07 43.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.762 0.315 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -80.87 132.86 35.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.416 HG21 ' CE1' ' A' ' 66' ' ' PHE . 16.7 mt -115.99 119.66 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 93.1 m -74.81 102.24 4.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.496 HG11 ' HG2' ' A' ' 47' ' ' LYS . 59.1 t -68.62 125.23 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 pt -112.23 -37.04 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.4 t -141.67 106.57 4.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.536 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -139.27 169.37 17.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.1 p -113.07 177.82 4.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -89.54 47.26 1.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -149.2 123.22 9.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -72.16 -26.83 62.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -88.75 48.95 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -153.19 157.62 40.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.477 ' CE3' HD12 ' A' ' 65' ' ' ILE . 15.7 m95 -84.17 129.18 34.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.536 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.1 m0 -109.53 176.32 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -122.41 115.44 22.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.24 177.7 17.79 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.6 ' HG3' HG23 ' A' ' 63' ' ' THR . 27.9 mtpt -123.11 141.09 52.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 35.3 tp -142.96 129.31 19.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.5 mtt-85 47.84 32.41 2.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.82 -27.25 11.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -71.72 161.03 31.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.6 HG23 ' HG3' ' A' ' 58' ' ' LYS . 1.8 m -140.36 150.03 43.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 173.39 -179.32 44.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.477 HD12 ' CE3' ' A' ' 54' ' ' TRP . 6.0 pt -100.49 154.79 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.515 ' CE2' HG11 ' A' ' 71' ' ' VAL . 48.5 p90 -165.09 152.37 9.71 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.688 0.756 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 121.5 8.18 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.314 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.446 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . . . -57.36 -19.03 20.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -68.64 -14.29 62.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -95.71 6.02 49.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.515 HG11 ' CE2' ' A' ' 66' ' ' PHE . 3.7 m -139.08 176.95 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.174 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.412 ' HB ' HD21 ' A' ' 23' ' ' LEU . 9.7 t -141.63 140.1 33.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 29.3 mtm -86.82 118.4 26.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -126.33 116.56 21.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.6 m -124.91 39.16 4.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 122.8 146.04 7.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -179.44 2.88 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.731 2.287 . . . . 0.0 112.358 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.4 t -119.32 143.97 47.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.0 m -38.66 -45.88 1.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.5 m -123.17 141.06 52.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 m -90.45 135.74 33.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.04 -126.17 2.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.455 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.9 p -90.38 131.28 36.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -59.46 -60.71 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.35 -96.76 0.73 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -49.12 172.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.767 0.318 . . . . 0.0 110.826 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -91.63 150.67 21.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -104.32 169.15 8.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.5 p -38.89 151.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -145.29 -52.5 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.522 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.08 -175.05 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER 75.04 38.28 0.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -42.4 -25.66 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -160.52 146.8 11.66 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -174.16 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.365 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 mt -127.11 158.22 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -113.81 122.8 48.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.7 m -127.74 149.69 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.3 m -105.24 117.91 35.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.02 112.75 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.638 HD21 ' CG2' ' A' ' 72' ' ' THR . 83.4 mt -67.19 -33.99 76.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -139.93 170.78 15.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.1 p -74.68 167.02 22.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 52.8 t80 -161.94 153.17 18.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -140.64 107.59 5.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.8 102.68 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -62.01 -34.0 75.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.724 0.297 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -99.28 160.06 28.51 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.7 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -0.07 6.39 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 0.0 112.353 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -118.98 24.61 8.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.538 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.84 -175.35 2.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.823 0.344 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.0 tp -119.92 154.78 33.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.476 ' O ' HD23 ' A' ' 59' ' ' LEU . 36.8 m-80 -118.5 117.67 29.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 47.8 p90 -139.95 175.88 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -134.32 160.83 36.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.34 103.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.42 -32.49 4.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.5 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.74 130.02 44.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.61 130.58 35.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.409 HG21 ' CE1' ' A' ' 66' ' ' PHE . 19.7 mt -113.59 123.61 69.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.2 m -74.31 102.72 4.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.5 t -69.94 110.22 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.471 HD11 ' HG2' ' A' ' 56' ' ' GLU . 3.3 pt -97.78 -39.2 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -135.85 116.5 13.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.522 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 11.3 ptmt -149.04 -175.38 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.08 154.53 38.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.4 -39.89 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.881 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.0 p -72.49 119.81 17.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.474 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 9.0 p-80 -79.88 -40.35 28.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -44.37 -44.25 8.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.27 172.2 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.573 ' CE3' HD12 ' A' ' 65' ' ' ILE . 10.4 m95 -95.97 136.17 36.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.522 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.9 m0 -109.65 169.06 8.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.471 ' HG2' HD11 ' A' ' 45' ' ' ILE . 41.5 tt0 -121.25 120.14 34.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -126.28 179.49 16.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.468 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.404 ' HD2' HD13 ' A' ' 45' ' ' ILE . 8.3 mtpp -129.24 133.67 47.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 35' ' ' ASN . 7.0 tp -145.56 142.83 29.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.966 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 47.52 41.68 13.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.06 39.06 97.57 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -134.98 167.65 20.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.923 0.392 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -137.36 138.46 39.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -173.82 171.9 44.86 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.435 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.573 HD12 ' CE3' ' A' ' 54' ' ' TRP . 6.7 pt -99.87 155.61 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.368 . . . . 0.0 111.095 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.409 ' CE1' HG21 ' A' ' 42' ' ' ILE . 50.9 p90 -167.42 152.57 6.95 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.624 0.726 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 121.61 8.3 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.355 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.517 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . . . -59.24 -17.14 25.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -69.22 -16.25 63.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -89.26 -10.76 45.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.2 m -120.84 172.91 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.638 ' CG2' HD21 ' A' ' 23' ' ' LEU . 8.8 t -136.38 156.4 48.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 12.9 mmm -102.69 45.57 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -89.27 99.03 12.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.3 m -59.85 172.29 0.77 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 54.29 -158.21 5.77 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 161.74 44.73 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.36 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.5 m -116.42 161.47 19.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.9 t -47.09 -54.31 10.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.857 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 m -78.99 130.18 35.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.895 0.379 . . . . 0.0 110.909 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -149.12 119.23 7.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.39 123.52 7.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -67.56 -62.16 1.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t 63.92 42.06 6.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.65 91.66 0.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -154.51 127.23 8.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.777 0.323 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -161.48 139.28 9.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -122.28 120.62 34.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 11' ' ' VAL . 14.3 p -65.36 124.98 21.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 58.05 -121.45 26.09 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -121.71 139.43 53.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.972 HD11 ' O ' ' A' ' 45' ' ' ILE . 1.8 tt -114.82 40.27 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 14' ' ' LEU . 5.0 m-20 -35.6 -39.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -163.56 152.04 11.68 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.596 0.712 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -176.19 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.638 2.225 . . . . 0.0 112.334 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.483 ' CD1' ' HE3' ' A' ' 47' ' ' LYS . 5.0 mt -127.58 151.12 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.07 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -108.12 124.75 50.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.9 m -131.09 154.05 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.196 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.3 m -108.4 120.48 42.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.538 ' HA ' HG12 ' A' ' 71' ' ' VAL . . . -62.08 105.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.504 HD21 ' CG2' ' A' ' 72' ' ' THR . 80.7 mt -62.02 -32.06 72.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -137.28 170.31 16.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.4 p -76.11 167.27 22.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.549 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 17.9 t80 -163.92 142.51 7.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -135.14 105.71 6.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.73 112.98 5.27 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -61.25 -30.27 70.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.708 0.289 . . . . 0.0 110.907 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -106.38 159.93 28.04 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.576 0.703 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -17.81 37.43 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.319 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.55 -17.5 66.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -81.09 -176.7 6.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.894 0.378 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.3 tp -121.35 143.49 49.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -111.47 120.75 43.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.549 ' CZ ' ' CB ' ' A' ' 26' ' ' PHE . 52.2 p90 -139.28 174.67 10.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -132.38 163.86 27.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.03 103.07 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.73 -33.9 3.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -55.8 132.71 50.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.771 0.32 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.03 130.82 34.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.841 HG21 ' CE2' ' A' ' 66' ' ' PHE . 19.2 mt -112.57 116.88 53.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.5 m -74.55 95.66 2.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.85 118.03 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.972 ' O ' HD11 ' A' ' 14' ' ' LEU . 3.6 pt -104.43 -38.07 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 t -146.55 110.96 5.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.508 ' HB2' ' CG ' ' A' ' 55' ' ' TRP . 12.3 pttp -126.76 -177.71 4.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.9 p -123.33 -179.22 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -89.05 43.22 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.4 m -159.2 135.07 8.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.46 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 52.7 m80 -74.54 -63.15 1.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -38.64 -40.54 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.78 166.52 2.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.841 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -95.67 136.86 35.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.565 ' CD2' ' HB2' ' A' ' 68' ' ' ALA . 54.8 m0 -111.34 172.43 6.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -118.77 113.34 20.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.56 -177.7 15.0 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -128.83 139.62 52.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.7 tp -141.56 129.47 21.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.5 mtp85 46.41 32.28 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.13 -28.56 10.4 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -69.13 156.92 37.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.8 m -138.78 143.82 39.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.57 -176.96 48.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.467 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.3 pt -99.15 156.49 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.372 . . . . 0.0 111.101 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.841 ' CE2' HG21 ' A' ' 42' ' ' ILE . 22.3 p90 -167.66 151.56 6.15 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.678 0.751 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 122.63 9.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.37 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.565 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . . . -64.04 -11.24 27.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.084 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -75.12 -15.29 60.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -89.5 -10.04 47.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.538 HG12 ' HA ' ' A' ' 22' ' ' ALA . 15.4 m -121.38 173.52 7.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.504 ' CG2' HD21 ' A' ' 23' ' ' LEU . 13.6 t -138.23 165.78 25.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.8 mtm -118.88 84.54 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -92.13 -51.3 5.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.3 m -82.63 111.85 18.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.58 -158.2 23.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -3.35 11.85 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.0 t -104.71 99.56 9.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.4 t -96.17 118.44 32.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t -142.48 119.12 11.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.37 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -71.49 139.94 49.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.43 170.34 42.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -149.43 146.84 27.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 110.854 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 t -150.07 115.44 5.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.58 158.78 31.34 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -105.69 -45.24 4.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.794 0.33 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -92.37 80.88 4.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -81.3 129.64 34.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 85.1 t -44.61 108.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 52.04 97.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.449 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -53.43 167.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -112.37 115.63 29.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -72.67 -31.24 64.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -170.29 144.01 2.03 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.564 0.697 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 177.52 5.52 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.627 2.218 . . . . 0.0 112.318 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.5 mt -118.79 157.58 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -113.34 123.07 49.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.6 m -130.26 146.26 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.0 m -101.81 117.29 34.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.86 105.24 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.8 mt -61.69 -31.09 71.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -139.95 160.99 38.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.7 t -73.67 162.94 28.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.82 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 66.4 t80 -159.22 164.39 35.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.51 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 36.3 mt-10 -150.87 112.13 4.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.63 115.87 5.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.482 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 27' ' ' GLU . 14.9 mp0 -88.36 -27.91 21.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.923 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -99.52 157.91 33.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.624 0.726 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 108.24 2.04 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.676 2.251 . . . . 0.0 112.331 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.39 -30.07 4.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -57.85 176.83 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.36 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.4 tp -121.54 141.66 50.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -105.94 127.66 53.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 31.8 p90 -141.29 -178.7 5.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -136.79 152.43 50.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.54 104.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.102 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.61 -33.7 4.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -58.22 132.91 54.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.755 0.312 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -82.98 123.62 29.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.91 HG21 ' CE2' ' A' ' 66' ' ' PHE . 19.3 mt -106.03 111.2 34.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.3 m -67.3 97.64 0.56 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.587 HG11 ' HG2' ' A' ' 47' ' ' LYS . 84.0 t -64.82 114.73 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.5 pt -102.72 -39.29 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.7 t -140.29 105.15 4.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.587 ' HG2' HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -131.79 166.6 21.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.88 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.5 p -116.59 174.09 6.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.09 44.7 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.9 m -142.73 116.3 9.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.685 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 27.6 p-80 -64.81 -38.55 91.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.816 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -68.49 -43.47 76.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -55.77 161.74 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.475 ' CE3' HD12 ' A' ' 65' ' ' ILE . 10.5 m0 -92.88 139.78 30.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.52 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 52.5 m0 -112.18 171.06 7.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -120.82 115.18 22.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.83 -175.94 14.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -127.3 138.04 52.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.868 0.366 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.9 tp -138.34 128.32 25.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 46.99 34.79 2.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.87 -28.73 8.87 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -67.55 162.96 22.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.858 0.361 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.0 m -143.5 144.5 32.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.01 -179.59 46.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.475 HD12 ' CE3' ' A' ' 54' ' ' TRP . 7.5 pt -97.82 158.0 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 111.105 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.91 ' CE2' HG21 ' A' ' 42' ' ' ILE . 41.1 p90 -166.17 152.61 8.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.641 0.734 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 121.49 8.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.353 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -56.43 -26.97 55.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.121 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -61.76 -13.51 24.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -97.41 12.56 32.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 68' ' ' ALA . 13.1 m -145.36 177.37 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.8 t -145.56 141.1 27.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.2 ttm -91.23 42.21 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -65.54 119.39 10.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.1 t -96.18 100.59 12.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.19 -158.14 27.19 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 97.08 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.664 2.243 . . . . 0.0 112.308 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.3 m -73.37 126.83 31.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 83.7 p -123.97 125.24 44.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t 68.65 42.51 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 0.0 110.826 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.7 m -104.75 127.48 52.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.91 -177.67 27.89 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.4 p -105.49 99.66 9.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.912 0.387 . . . . 0.0 110.873 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 p -68.32 -6.26 23.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.82 162.51 9.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -159.61 177.52 10.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.738 0.304 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -156.08 161.05 40.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -97.9 133.21 42.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.7 t -118.11 126.25 74.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.5 159.7 35.84 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.464 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -112.76 155.49 24.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.36 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.559 HD13 ' C ' ' A' ' 14' ' ' LEU . 1.1 tm? -122.18 101.72 7.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -77.63 -40.93 40.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.502 ' C ' HD11 ' A' ' 14' ' ' LEU . 73.6 mt-30 -145.77 150.76 44.13 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.59 0.709 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 177.63 5.34 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.695 2.263 . . . . 0.0 112.368 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.424 HD12 ' HD3' ' A' ' 47' ' ' LYS . 3.9 mt -119.3 159.64 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.123 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -115.26 124.69 51.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.7 m -131.71 157.85 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.5 m -111.16 122.11 47.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.52 105.42 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.078 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.555 HD21 ' HB ' ' A' ' 72' ' ' THR . 54.8 mt -61.77 -33.45 74.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -139.38 155.9 47.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.4 m -69.2 158.56 34.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 79.6 t80 -151.44 162.31 41.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.464 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 40.7 mt-10 -143.06 105.4 4.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -48.67 101.65 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -65.4 -34.08 77.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.729 0.3 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.411 ' CD ' ' HD2' ' A' ' 31' ' ' PRO . 19.2 mm-40 -93.3 156.78 39.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.573 0.702 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.411 ' HD2' ' CD ' ' A' ' 30' ' ' GLN . 53.9 Cg_endo -69.76 2.57 3.41 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.249 . . . . 0.0 112.377 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -126.41 28.03 4.86 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -108.26 -174.99 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.9 tp -119.92 147.02 45.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.616 ' O ' HD23 ' A' ' 59' ' ' LEU . 46.3 m-80 -108.04 118.08 35.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 55.2 p90 -141.2 161.83 36.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -123.17 161.37 24.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.93 104.29 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.57 -34.34 3.82 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.83 131.44 50.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.342 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -82.44 130.55 35.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.602 HG21 ' CE1' ' A' ' 66' ' ' PHE . 18.9 mt -111.18 118.89 58.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.5 m -71.87 98.74 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 47' ' ' LYS . 59.5 t -67.51 111.49 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.3 pt -96.94 -38.58 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 t -143.05 105.49 4.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.528 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 13.9 pttm -121.3 177.26 5.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.3 p -126.89 172.77 10.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -62.75 -59.98 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.8 m -57.02 143.82 36.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 52' ' ' PHE . 22.2 m-70 -83.75 -63.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 51' ' ' HIS . 30.6 m-85 -35.7 -39.98 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -54.51 161.16 1.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.435 ' CE3' HD12 ' A' ' 65' ' ' ILE . 11.8 m95 -91.34 139.87 30.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.648 ' CD2' ' HB2' ' A' ' 68' ' ' ALA . 54.8 m0 -112.11 174.37 5.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -120.87 112.44 18.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -124.56 -178.25 15.28 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -130.15 132.34 46.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.821 0.343 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 35' ' ' ASN . 21.7 tp -141.95 144.29 33.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 44.01 47.68 7.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.08 37.98 92.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -134.23 172.5 12.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.913 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 m -142.75 139.33 31.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -176.61 176.25 47.83 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.519 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.435 HD12 ' CE3' ' A' ' 54' ' ' TRP . 6.0 pt -98.72 155.6 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.886 0.374 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.602 ' CE1' HG21 ' A' ' 42' ' ' ILE . 50.5 p90 -168.07 152.09 6.03 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.628 0.728 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 121.48 8.17 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.355 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.648 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . . . -61.91 -11.26 12.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -71.69 -22.9 61.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -87.52 -5.4 58.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.506 HG11 ' CE2' ' A' ' 66' ' ' PHE . 3.5 m -123.65 170.21 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.159 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.555 ' HB ' HD21 ' A' ' 23' ' ' LEU . 8.7 t -129.9 154.34 47.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 13.9 tpp -116.75 96.99 5.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -134.19 105.18 6.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.1 m -111.82 102.36 10.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -174.09 154.71 20.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.442 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -15.63 37.21 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.683 2.256 . . . . 0.0 112.355 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 t -105.87 151.02 25.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.0 t -97.41 -58.89 1.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.485 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.5 p -149.04 160.39 43.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -151.08 123.76 8.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.69 -168.95 39.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.6 p -147.53 167.72 23.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 110.837 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.5 p -129.95 126.12 37.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.1 168.9 40.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.453 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -95.06 151.47 19.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.77 0.319 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -103.45 142.31 34.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 12' ' ' GLY . 7.8 ptm180 -117.32 84.59 2.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 11' ' ' VAL . 10.0 p 36.22 34.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 10' ' ' ARG . . . -127.57 88.27 0.33 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.479 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -80.54 127.05 32.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -111.66 89.82 3.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -69.32 -37.88 77.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -150.17 151.15 31.17 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.596 0.712 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -179.67 3.08 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mt -117.8 153.5 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.161 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -112.48 127.31 56.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.2 m -135.83 149.64 28.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.3 m -106.17 117.72 34.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.88 109.76 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.088 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.514 HD21 ' CG2' ' A' ' 72' ' ' THR . 83.0 mt -64.84 -33.69 76.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.401 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 17.7 m-85 -140.81 169.88 16.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 96.4 p -75.0 166.25 23.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 52.1 t80 -162.84 157.39 21.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -140.78 105.42 4.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -48.73 102.51 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -68.11 -35.29 77.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.788 0.328 . . . . 0.0 110.938 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -88.77 157.63 48.84 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.584 0.707 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 1.52 4.37 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.668 2.245 . . . . 0.0 112.365 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -127.52 24.67 5.21 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.493 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -101.04 -176.73 3.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.85 0.357 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.8 tp -120.08 148.99 42.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.458 ' O ' HD23 ' A' ' 59' ' ' LEU . 38.3 m-80 -112.94 119.06 36.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 51.5 p90 -140.58 177.41 8.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -137.23 153.78 50.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.401 ' HB2' ' HA ' ' A' ' 24' ' ' TYR . . . -49.4 104.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.08 -31.81 4.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.84 127.19 30.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.7 mmt-85 -78.07 137.73 38.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.576 HG21 ' CE2' ' A' ' 66' ' ' PHE . 19.6 mt -118.66 118.6 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.5 m -74.25 94.52 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.07 117.4 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.425 HD13 ' HD2' ' A' ' 58' ' ' LYS . 3.6 pt -102.41 -38.43 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.9 t -141.38 107.05 5.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.538 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -135.37 162.36 32.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 58.7 p -108.26 172.26 6.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -61.03 -46.43 90.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.4 m -63.32 145.69 55.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.678 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 30.8 p-80 -90.88 -56.11 3.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -40.44 -42.92 1.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.37 159.33 4.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -85.55 143.12 28.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.538 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.8 m0 -116.13 171.29 7.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -118.55 113.57 21.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.86 -178.14 15.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.53 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.425 ' HD2' HD13 ' A' ' 45' ' ' ILE . 26.4 mtpt -128.32 138.28 52.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.858 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 35' ' ' ASN . 11.1 tp -143.69 128.39 18.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 49.19 32.37 4.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.82 -25.67 13.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.503 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -73.23 148.6 43.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.899 0.381 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.2 m -130.71 143.02 50.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.21 173.73 43.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.444 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.0 pt -92.32 156.75 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.392 . . . . 0.0 111.058 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.576 ' CE2' HG21 ' A' ' 42' ' ' ILE . 48.6 p90 -165.96 152.57 8.74 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.666 0.746 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 121.46 8.15 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -59.27 -23.91 62.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -64.32 -12.63 43.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -95.25 0.5 53.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.1 m -134.29 168.2 24.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.514 ' CG2' HD21 ' A' ' 23' ' ' LEU . 14.7 t -134.08 146.56 50.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -100.76 91.41 4.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -90.05 157.14 17.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 89.1 p -164.45 166.74 20.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.56 147.0 15.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.435 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 112.59 3.12 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.273 . . . . 0.0 112.362 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.6 m 38.04 42.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.4 t -78.05 109.4 12.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 t -69.21 170.5 10.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 110.87 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -63.93 124.8 22.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.24 129.6 8.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -92.84 102.99 15.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.875 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.0 m -136.19 111.45 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.05 -126.1 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.527 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.7 p-80 -113.64 82.41 1.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -90.43 89.43 7.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.7 mmt-85 -105.62 43.92 1.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.647 HG11 HG22 ' A' ' 48' ' ' THR . 28.3 m -70.53 -43.52 77.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.462 ' N ' HG23 ' A' ' 11' ' ' VAL . . . 112.96 132.87 5.76 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -76.92 138.6 39.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.369 . . . . 0.0 110.922 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.825 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -110.94 93.43 4.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 14' ' ' LEU . 2.5 m-80 -35.42 -50.18 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -110.38 144.07 29.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.567 0.699 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 176.02 7.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.36 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.8 mt -123.49 157.28 29.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -114.96 122.32 45.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.4 m -124.9 144.45 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.8 m -99.88 120.44 39.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.178 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . -62.63 111.91 2.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.477 HD21 ' CG2' ' A' ' 72' ' ' THR . 55.3 mt -70.18 -29.18 65.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.428 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 25.8 m-85 -142.91 156.9 44.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.4 m -71.92 152.47 42.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 79.3 t80 -147.42 162.17 39.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.46 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 29.8 mt-10 -144.55 107.69 4.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.4 102.64 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -66.81 -30.47 70.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.72 0.295 . . . . 0.0 110.883 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.434 ' CD ' ' HD2' ' A' ' 31' ' ' PRO . 6.6 mm100 -95.75 158.19 34.76 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.616 0.722 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.434 ' HD2' ' CD ' ' A' ' 30' ' ' GLN . 53.5 Cg_endo -69.76 -2.63 10.5 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.737 2.291 . . . . 0.0 112.332 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -122.83 24.81 6.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -107.21 -177.19 3.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.4 tp -120.18 144.0 47.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.466 ' O ' HD23 ' A' ' 59' ' ' LEU . 4.4 m120 -111.12 122.29 47.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.568 ' HB3' HD22 ' A' ' 59' ' ' LEU . 49.0 p90 -140.35 174.71 10.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -128.08 159.76 34.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.428 ' HB2' ' HA ' ' A' ' 24' ' ' TYR . . . -59.57 104.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 22' ' ' ALA . . . 125.13 -33.24 3.73 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.56 138.95 57.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 110.841 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.467 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -89.7 127.28 35.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.471 HG21 ' CE2' ' A' ' 66' ' ' PHE . 15.5 mt -108.82 127.59 65.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.6 m -80.22 99.54 7.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.3 t -65.17 115.68 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.7 pt -104.64 -36.26 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.6 t -142.5 107.86 5.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.484 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 4.3 ptmm? -138.33 170.23 16.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.647 HG22 HG11 ' A' ' 11' ' ' VAL . 69.8 p -117.26 -179.4 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -70.16 -43.86 69.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 72.8 m -65.9 146.48 54.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.504 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 10.9 m170 -88.26 -62.43 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.416 ' C ' ' O ' ' A' ' 51' ' ' HIS . 6.7 t80 -36.5 -40.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -56.0 157.39 4.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.407 ' CE3' HD12 ' A' ' 65' ' ' ILE . 11.3 m95 -87.58 138.36 31.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.484 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.9 m0 -111.97 173.63 6.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -122.26 116.87 24.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.98 -178.62 15.46 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.479 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -125.7 132.57 52.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.568 HD22 ' HB3' ' A' ' 36' ' ' PHE . 15.6 tp -144.92 144.88 31.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 45.23 41.18 5.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.76 35.52 92.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -131.56 173.34 11.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 110.959 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.3 m -143.67 140.33 30.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.15 -176.52 46.98 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.407 HD12 ' CE3' ' A' ' 54' ' ' TRP . 7.7 pt -105.1 151.57 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.471 ' CE2' HG21 ' A' ' 42' ' ' ILE . 47.5 p90 -161.54 152.56 15.31 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.474 ' HG2' ' CD1' ' A' ' 70' ' ' TYR . 53.8 Cg_endo -69.76 123.01 9.68 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.667 2.245 . . . . 0.0 112.35 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -59.23 -21.2 59.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -65.33 -16.09 63.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.474 ' CD1' ' HG2' ' A' ' 67' ' ' PRO . 10.3 m-85 -91.71 -1.74 57.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.5 m -131.29 175.34 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.477 ' CG2' HD21 ' A' ' 23' ' ' LEU . 11.4 t -143.1 130.79 21.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.177 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 19.0 ttp -102.08 45.11 0.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.1 p-10 -99.46 151.39 21.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.0 m -140.64 151.1 44.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -172.19 -158.33 16.11 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 78' ' ' SER . 54.0 Cg_endo -69.71 132.23 22.97 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.34 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 77' ' ' PRO . 7.6 t -34.5 111.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.3 t -140.74 144.62 35.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -95.26 -56.21 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.887 0.375 . . . . 0.0 110.847 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.8 m -73.87 -47.69 36.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.64 96.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.462 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.8 m -70.97 -58.97 3.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.875 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 p -66.73 125.33 25.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.97 43.41 0.55 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.3 p80 -115.22 139.6 49.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.74 0.305 . . . . 0.0 110.836 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -105.75 80.28 1.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.4 ttm-85 -38.7 108.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.412 ' H ' HG12 ' A' ' 11' ' ' VAL . 1.7 p -63.71 119.41 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.79 46.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -83.78 104.39 13.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -91.81 151.79 20.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -116.3 -38.21 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -155.44 142.39 13.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 175.9 7.47 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.682 2.254 . . . . 0.0 112.374 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.53 HD12 ' HE3' ' A' ' 47' ' ' LYS . 6.7 mt -121.79 146.61 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.149 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -105.04 121.94 44.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.1 m -126.6 149.76 31.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -106.0 121.02 43.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.87 107.97 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 70' ' ' TYR . 61.4 mt -61.56 -30.62 70.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -143.81 166.21 25.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 97.9 p -76.12 157.69 32.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 73.7 t80 -156.45 153.14 28.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -138.96 107.02 5.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -45.8 101.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.475 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -74.4 -26.69 60.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.744 0.306 . . . . 0.0 110.923 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -103.81 156.97 34.87 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.624 0.726 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 118.76 5.88 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.321 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.34 -22.35 12.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.85 -175.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.405 ' HB2' ' CA ' ' A' ' 64' ' ' GLY . 16.0 tp -120.13 152.69 37.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.523 ' O ' HD23 ' A' ' 59' ' ' LEU . 29.6 m-80 -116.52 120.43 38.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.54 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 42.3 p90 -142.36 174.11 10.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -130.78 157.86 41.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.71 104.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.47 -35.69 3.65 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.508 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -53.59 128.76 30.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -81.84 128.71 34.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.514 HG21 ' CE2' ' A' ' 66' ' ' PHE . 17.8 mt -110.77 127.6 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.0 m -80.7 99.13 8.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.47 115.14 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.168 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.2 pt -103.72 -38.05 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -145.13 115.83 7.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.53 ' HE3' HD12 ' A' ' 18' ' ' ILE . 12.4 pttp -137.22 178.3 7.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 74.7 p -121.51 171.61 8.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -78.65 47.84 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -163.33 139.71 7.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.501 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 30.6 p-80 -81.95 -54.37 5.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -41.87 -39.84 1.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.76 163.71 16.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 12.5 m95 -92.18 136.25 33.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.959 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.519 ' CG ' ' HB2' ' A' ' 47' ' ' LYS . 54.9 m0 -109.76 170.38 8.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -117.43 115.11 24.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -127.9 176.57 17.99 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.594 ' HG3' HG23 ' A' ' 63' ' ' THR . 21.1 mtpt -124.17 137.25 54.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.761 0.315 . . . . 0.0 110.947 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 35' ' ' ASN . 10.5 tp -141.83 128.7 20.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.437 ' HG2' ' CD1' ' A' ' 59' ' ' LEU . 45.3 mmm-85 45.96 43.58 10.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.64 -24.81 4.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.478 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -73.37 159.7 32.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.917 0.389 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.594 HG23 ' HG3' ' A' ' 58' ' ' LYS . 3.7 m -146.24 142.16 28.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.405 ' CA ' ' HB2' ' A' ' 34' ' ' LEU . . . 178.51 175.22 45.43 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.6 pt -90.83 152.98 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 0.0 111.154 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.514 ' CE2' HG21 ' A' ' 42' ' ' ILE . 49.3 p90 -163.56 152.55 12.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.627 0.727 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.543 ' HB2' ' ND2' ' A' ' 69' ' ' ASN . 54.0 Cg_endo -69.69 122.66 9.36 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.254 . . . . 0.0 112.36 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -59.9 -18.75 47.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.096 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.543 ' ND2' ' HB2' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -70.3 -14.46 62.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.418 ' O ' ' N ' ' A' ' 23' ' ' LEU . 4.2 m-85 -91.3 -10.15 42.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 m -127.11 -178.18 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.0 t -150.53 136.85 18.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.45 ' O ' ' C ' ' A' ' 74' ' ' ASN . 1.9 ptt? -109.88 29.98 7.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 73' ' ' MET . 1.7 p30 -34.48 139.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 m -94.67 121.8 36.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.809 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 152.51 -157.41 27.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 156.06 64.4 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.8 p -84.57 164.49 18.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.9 t -87.68 144.95 26.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 p -157.39 174.9 14.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.846 0.355 . . . . 0.0 110.865 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.7 p -88.65 123.71 33.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.33 102.32 0.21 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.508 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -137.43 140.76 41.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 110.889 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 t -46.37 123.23 4.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.79 -173.95 33.98 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -130.59 166.58 20.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.319 . . . . 0.0 110.812 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -116.07 176.14 5.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.425 ' NH1' ' HB ' ' A' ' 48' ' ' THR . 25.2 mtt-85 -108.97 106.34 16.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.5 m -106.51 147.26 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.156 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.97 116.74 0.39 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -113.65 111.92 22.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.761 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -103.79 103.07 12.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 14' ' ' LEU . 5.3 m120 -34.71 -59.66 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -105.7 144.16 28.3 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.597 0.713 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.49 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 53.4 Cg_endo -69.85 -172.84 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.304 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 19' ' ' GLU . 5.4 mt -121.04 161.94 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.412 ' N ' HG22 ' A' ' 18' ' ' ILE . 33.7 mt-10 -116.16 122.39 44.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.634 HG12 ' HG2' ' A' ' 73' ' ' MET . 29.7 m -128.88 141.26 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.7 m -97.0 119.13 34.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 37' ' ' GLN . . . -61.93 108.54 1.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.618 HD21 ' CG2' ' A' ' 72' ' ' THR . 53.9 mt -65.44 -28.68 69.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -142.1 169.55 17.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.1 p -77.57 162.97 26.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.582 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 51.1 t80 -151.9 164.89 36.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.516 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 36.9 mt-10 -152.05 110.49 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.68 120.68 23.46 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.458 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.1 mp0 -83.11 -28.7 29.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.763 0.316 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -101.51 160.02 27.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.714 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 2.37 3.61 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.253 . . . . 0.0 112.332 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -124.5 26.1 5.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.53 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -106.21 -175.16 2.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.854 0.359 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.1 tp -122.13 153.7 38.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -119.4 118.88 32.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.582 ' CZ ' ' CB ' ' A' ' 26' ' ' PHE . 53.9 p90 -139.66 175.35 9.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.44 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 3.1 mm100 -133.0 164.26 27.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.31 103.67 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.95 -26.95 6.62 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.56 129.1 38.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.741 0.305 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.423 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 1.5 mpp_? -80.47 127.71 32.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.436 HG21 ' CE1' ' A' ' 66' ' ' PHE . 15.4 mt -109.83 119.36 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.0 m -75.42 97.96 3.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 17' ' ' PRO . 41.9 t -66.44 120.13 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.663 HD13 ' HD2' ' A' ' 58' ' ' LYS . 2.4 pt -103.95 -36.66 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -144.28 107.19 4.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.531 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -135.91 -177.38 4.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.425 ' HB ' ' NH1' ' A' ' 10' ' ' ARG . 21.4 p -124.28 156.46 36.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -82.43 63.49 6.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.0 m -173.66 133.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -76.54 -178.45 4.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.471 ' CG ' ' O ' ' A' ' 52' ' ' PHE . 74.4 t80 59.17 31.67 21.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -139.16 156.78 46.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 23.4 m95 -87.8 130.52 34.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.531 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.7 m0 -113.34 171.98 7.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -115.57 113.28 23.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -127.38 179.68 16.28 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.495 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.663 ' HD2' HD13 ' A' ' 45' ' ' ILE . 10.5 mtpp -129.16 139.89 51.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 55.6 tp -141.38 128.85 21.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 46.44 35.2 2.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.92 -28.39 8.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -67.54 163.82 20.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.44 HG23 ' HG3' ' A' ' 58' ' ' LYS . 4.7 m -148.34 142.86 26.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.26 -171.08 41.97 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.529 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.8 pt -107.77 147.45 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 111.121 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.436 ' CE1' HG21 ' A' ' 42' ' ' ILE . 47.1 p90 -158.12 151.73 19.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.654 0.74 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 123.85 10.48 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.656 2.238 . . . . 0.0 112.307 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.415 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . . . -56.87 -30.79 64.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -59.99 -17.33 37.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -89.78 0.34 57.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 19.2 m -136.01 170.21 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.618 ' CG2' HD21 ' A' ' 23' ' ' LEU . 14.7 t -134.27 170.19 16.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.634 ' HG2' HG12 ' A' ' 20' ' ' VAL . 33.1 mtt -130.67 44.1 3.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -59.91 106.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.9 m -92.9 173.33 7.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 77.35 146.29 2.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -8.38 23.46 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.643 2.228 . . . . 0.0 112.371 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.6 t -67.81 161.86 25.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.1 m -134.12 -50.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 p -163.68 122.47 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.343 . . . . 0.0 110.888 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -111.73 109.56 19.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.44 -156.49 22.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.439 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 t -148.23 165.32 31.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 0.0 110.839 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -83.54 80.84 8.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.94 -152.85 5.01 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -40.49 99.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.771 0.319 . . . . 0.0 110.834 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 10' ' ' ARG . 42.1 mm-40 -84.32 96.2 8.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 9' ' ' GLU . 3.9 ptm85 -35.03 122.61 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.839 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.5 m -39.08 137.41 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.12 84.57 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -72.49 143.42 48.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.932 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -119.08 79.7 1.44 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -61.29 -32.52 72.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -154.83 153.19 27.13 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.602 0.715 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 169.62 18.54 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.65 2.233 . . . . 0.0 112.38 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.48 HG21 ' CE ' ' A' ' 73' ' ' MET . 7.6 mt -111.89 151.56 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -113.98 125.79 54.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.1 m -132.13 150.76 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 m -101.82 127.9 48.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.69 113.81 5.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.78 -29.8 67.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -142.17 160.49 40.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.8 m -74.86 154.65 38.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.844 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 78.3 t80 -152.58 156.83 40.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -142.54 107.92 5.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.85 102.03 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.431 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -73.77 -29.15 62.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.727 0.299 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -100.41 157.33 33.98 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.578 0.704 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 112.44 3.08 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.639 2.226 . . . . 0.0 112.323 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 122.17 -27.77 6.02 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.458 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.82 -179.04 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.816 0.341 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 tp -121.69 139.32 53.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -106.28 121.54 44.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 31.2 p90 -135.35 177.83 7.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -133.81 151.44 51.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.3 104.03 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.43 -35.42 3.61 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.451 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.73 126.96 23.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.784 0.326 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.422 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 2.0 mpp_? -81.0 123.52 28.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.624 HG21 ' CE1' ' A' ' 66' ' ' PHE . 18.6 mt -106.83 123.69 62.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.3 m -80.49 98.55 7.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 47' ' ' LYS . 59.9 t -66.33 117.11 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.43 HD13 ' HD2' ' A' ' 58' ' ' LYS . 3.6 pt -103.92 -37.0 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -138.46 105.23 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.821 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.53 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 22.1 pttt -133.53 169.62 16.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.5 p -114.26 175.93 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.42 -45.45 87.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.7 p -70.19 149.31 47.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.448 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 32.8 m80 -91.45 -56.4 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 51' ' ' HIS . 14.8 t80 -36.58 -43.0 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.35 162.13 2.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.479 ' CE3' HD12 ' A' ' 65' ' ' ILE . 11.5 m95 -88.22 136.64 32.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.53 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.5 m0 -110.1 171.12 7.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -121.86 119.31 31.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -130.62 -171.94 13.02 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.43 ' HD2' HD13 ' A' ' 45' ' ' ILE . 22.3 mtpt -129.78 139.6 51.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.0 tp -145.45 129.06 17.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 47.0 54.1 9.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 57.91 43.65 94.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -137.21 166.56 23.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.924 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.1 m -142.21 138.28 31.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.28 175.45 47.14 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.479 HD12 ' CE3' ' A' ' 54' ' ' TRP . 6.7 pt -99.72 150.52 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.893 0.378 . . . . 0.0 111.103 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.624 ' CE1' HG21 ' A' ' 42' ' ' ILE . 50.7 p90 -159.91 152.54 17.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.644 0.735 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 121.55 8.24 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -60.09 -26.37 66.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -64.12 -11.1 26.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -95.78 -6.22 40.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.2 m -124.7 178.63 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.8 t -145.57 161.42 39.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.48 ' CE ' HG21 ' A' ' 18' ' ' ILE . 1.1 tpt -106.68 50.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -114.72 126.73 55.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.3 p -83.17 78.06 9.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.44 146.24 40.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.534 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 140.04 41.84 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.356 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.6 m -50.32 154.87 1.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.2 t 59.69 42.92 16.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.3 m -99.73 135.67 40.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.914 0.388 . . . . 0.0 110.821 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 m -94.21 -53.48 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.874 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.84 171.67 17.09 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 6' ' ' SER . 16.3 p -133.55 -40.3 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.917 0.389 . . . . 0.0 110.845 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 5' ' ' SER . 18.3 m 36.68 42.42 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.98 107.23 1.09 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -148.57 152.75 37.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -70.27 116.86 11.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 10' ' ' ARG . 21.8 ttm105 -49.37 134.6 18.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.73 ' O ' HG13 ' A' ' 11' ' ' VAL . 5.1 p -107.75 45.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.0 91.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.553 ' C ' HD13 ' A' ' 14' ' ' LEU . 39.6 m-20 -62.01 152.02 33.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.867 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.874 ' N ' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -132.92 76.74 1.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -39.54 -25.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 14' ' ' LEU . 33.0 mt-30 -127.75 144.86 52.77 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.611 0.719 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 174.56 9.29 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.695 2.263 . . . . 0.0 112.361 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.4 mt -124.11 153.23 30.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -110.36 123.74 50.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.437 HG12 ' HG2' ' A' ' 73' ' ' MET . 35.1 m -129.65 143.35 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.0 m -97.19 120.53 37.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.89 109.65 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.614 HD21 ' HB ' ' A' ' 72' ' ' THR . 58.8 mt -65.27 -31.93 73.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -140.1 162.04 36.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.9 t -74.35 163.09 28.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.571 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 67.7 t80 -158.15 161.11 37.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 18.0 mt-10 -142.27 108.48 5.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -48.41 102.23 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -67.85 -33.91 75.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.735 0.302 . . . . 0.0 110.917 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -92.72 158.2 38.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.631 0.729 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 2.57 3.4 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 0.0 112.31 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -129.51 30.79 3.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -111.62 -177.49 3.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.836 0.35 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.4 tp -120.27 146.62 45.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.421 ' O ' HD23 ' A' ' 59' ' ' LEU . 3.4 m-80 -112.0 121.28 44.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 40.2 p90 -138.36 176.98 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -135.09 151.25 50.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.59 104.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.35 -34.95 3.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.15 131.12 50.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.61 127.96 33.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.808 HG21 ' CE2' ' A' ' 66' ' ' PHE . 18.0 mt -109.76 114.27 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.6 m -68.87 96.27 0.75 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.153 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.0 t -67.96 115.16 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.408 HD13 ' HD2' ' A' ' 58' ' ' LYS . 3.5 pt -102.52 -38.37 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.152 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -138.35 108.56 6.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.535 ' HE2' ' CZ2' ' A' ' 55' ' ' TRP . 4.8 ptmm? -129.92 167.9 17.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.5 p -113.55 173.62 6.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.18 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -83.57 42.87 0.86 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.7 m -153.87 130.58 10.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.585 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 73.2 m80 -72.19 -63.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -38.68 -40.09 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.22 164.55 6.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.429 ' CH2' ' HD3' ' A' ' 67' ' ' PRO . 11.1 m95 -93.74 141.99 27.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.535 ' CZ2' ' HE2' ' A' ' 47' ' ' LYS . 54.5 m0 -113.31 175.64 5.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -124.7 114.8 19.79 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.33 -174.37 13.72 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.541 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.408 ' HD2' HD13 ' A' ' 45' ' ' ILE . 26.6 mtpt -129.04 132.9 47.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.484 HD22 ' HB3' ' A' ' 36' ' ' PHE . 8.0 tp -142.38 144.07 32.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.898 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 43.68 45.93 6.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.97 36.47 92.27 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.459 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -133.31 172.98 11.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 110.941 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.7 m -142.88 143.1 31.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.31 179.62 48.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.8 pt -101.21 153.09 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.808 ' CE2' HG21 ' A' ' 42' ' ' ILE . 44.9 p90 -162.67 152.47 13.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.633 0.73 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.439 ' HG2' ' CD1' ' A' ' 70' ' ' TYR . 53.7 Cg_endo -69.76 121.66 8.35 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.697 2.265 . . . . 0.0 112.299 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -56.3 -29.71 61.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -61.08 -11.69 9.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.439 ' CD1' ' HG2' ' A' ' 67' ' ' PRO . 9.8 m-85 -97.36 6.81 47.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 68' ' ' ALA . 17.3 m -138.09 177.91 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.614 ' HB ' HD21 ' A' ' 23' ' ' LEU . 3.9 t -150.3 146.22 26.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.437 ' HG2' HG12 ' A' ' 20' ' ' VAL . 11.0 mtm -103.54 78.46 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -78.82 120.97 24.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.3 p -102.91 89.44 3.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -155.9 147.44 16.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.499 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 78' ' ' SER . 53.7 Cg_endo -69.78 2.78 3.23 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.683 2.255 . . . . 0.0 112.33 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 77' ' ' PRO . 14.4 m -34.76 124.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.81 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -86.32 -175.58 5.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.846 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.512 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 p -59.59 136.68 58.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.832 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -89.27 121.09 31.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.825 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.31 -115.86 3.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.7 p -132.24 125.61 31.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.359 . . . . 0.0 110.862 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.0 t -74.09 142.97 45.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.822 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.6 156.5 7.25 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.471 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -102.96 -58.14 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.768 0.318 . . . . 0.0 110.83 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 67.44 42.65 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -133.71 138.34 45.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.5 p -106.26 148.83 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.82 141.02 8.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.455 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -83.59 46.85 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.706 ' O ' HD23 ' A' ' 14' ' ' LEU . 1.7 tt -86.1 29.36 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 14' ' ' LEU . 2.1 m-80 -34.84 -37.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -163.87 147.58 8.18 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.551 0.691 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HB2' HG22 ' A' ' 43' ' ' THR . 53.3 Cg_endo -69.77 -177.01 1.68 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.66 2.24 . . . . 0.0 112.307 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 19' ' ' GLU . 7.4 mt -122.28 158.43 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.401 ' N ' HG22 ' A' ' 18' ' ' ILE . 23.6 mt-10 -109.84 122.21 47.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.4 m -129.72 146.99 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.096 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.443 ' O ' HG22 ' A' ' 72' ' ' THR . 89.8 m -102.18 126.94 49.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . -69.21 112.5 5.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.409 HD21 ' CG2' ' A' ' 72' ' ' THR . 85.1 mt -69.76 -25.09 63.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -143.84 160.88 40.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m -72.32 160.17 32.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 79.3 t80 -154.32 160.98 42.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.439 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 19.8 mt-10 -144.17 107.24 4.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -48.66 102.11 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -66.27 -35.08 79.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.76 0.314 . . . . 0.0 110.889 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -90.14 156.61 46.26 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.625 0.726 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 3.05 3.02 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.367 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -130.17 27.27 4.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.519 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -106.82 -175.14 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 110.812 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.6 tp -120.29 142.36 49.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -108.95 124.72 51.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.581 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 43.3 p90 -143.3 172.75 12.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -129.52 153.21 48.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.79 103.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 22' ' ' ALA . . . 124.46 -35.78 3.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.43 130.28 44.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.745 0.307 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.413 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 1.6 mpp_? -83.54 130.36 35.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.529 HG21 ' CE1' ' A' ' 66' ' ' PHE . 18.5 mt -113.14 126.68 70.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.41 HG22 ' HB2' ' A' ' 17' ' ' PRO . 28.4 m -79.86 94.01 5.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.427 ' CG1' ' HB3' ' A' ' 47' ' ' LYS . 58.8 t -60.19 108.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.106 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.506 ' O ' HD11 ' A' ' 14' ' ' LEU . 4.7 pt -94.55 -39.14 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 t -141.34 110.03 6.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.534 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 18.6 pttm -127.41 176.01 7.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 81.2 p -120.32 -179.77 4.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -85.96 17.95 3.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.9 m -128.07 135.1 49.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.51 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 11.2 m170 -77.16 -66.17 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -38.73 -38.64 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.23 166.6 2.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.495 ' CH2' ' HD3' ' A' ' 67' ' ' PRO . 11.3 m95 -96.92 134.84 39.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.534 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 53.0 m0 -109.22 172.72 6.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -118.63 119.38 34.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -131.34 177.08 18.78 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.586 ' HG3' HG23 ' A' ' 63' ' ' THR . 7.7 mtpp -122.31 134.97 54.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.34 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.49 ' CD1' ' HG2' ' A' ' 60' ' ' ARG . 6.0 tp -137.56 127.93 26.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.49 ' HG2' ' CD1' ' A' ' 59' ' ' LEU . 20.7 mmm180 44.23 38.28 2.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.63 -28.67 6.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 59' ' ' LEU . 12.3 mp0 -66.87 151.23 47.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.586 HG23 ' HG3' ' A' ' 58' ' ' LYS . 1.3 m -133.63 143.76 48.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 172.47 -179.62 43.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.506 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.1 pt -100.24 158.51 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 111.092 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.536 ' CE2' HG11 ' A' ' 71' ' ' VAL . 50.8 p90 -165.12 152.63 9.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.706 0.765 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.524 ' HB2' ' ND2' ' A' ' 69' ' ' ASN . 54.0 Cg_endo -69.78 122.05 8.73 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -54.34 -33.14 58.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.048 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.524 ' ND2' ' HB2' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -57.33 -16.18 8.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -94.83 12.08 29.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.536 HG11 ' CE2' ' A' ' 66' ' ' PHE . 16.0 m -145.89 170.55 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.443 HG22 ' O ' ' A' ' 21' ' ' THR . 6.7 t -135.82 144.27 45.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 30.2 ttp -113.0 101.09 9.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -164.56 150.82 10.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 78.8 p -156.38 149.24 23.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 175.36 -158.13 25.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -6.47 18.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.8 m -39.06 134.28 1.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.0 t -146.35 132.08 18.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.1 p -153.23 153.75 33.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.5 p -167.79 174.29 7.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.84 -153.74 5.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -112.53 107.22 15.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.349 . . . . 0.0 110.887 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -78.29 149.23 33.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.1 72.54 0.47 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -42.4 123.07 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.752 0.31 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -63.18 -47.58 82.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.2 mmm-85 55.1 47.2 22.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.6 m -85.08 39.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.31 178.12 18.85 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.459 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -143.28 152.15 41.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -134.38 90.73 2.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -77.24 -32.83 55.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -159.59 147.14 13.01 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.558 0.694 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -175.75 1.26 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.647 2.231 . . . . 0.0 112.348 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.7 mt -125.59 145.35 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -102.63 126.47 49.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.0 m -135.13 147.33 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -101.29 124.71 47.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.74 109.1 2.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.403 HD21 ' CG2' ' A' ' 72' ' ' THR . 27.4 mt -65.43 -31.28 72.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -137.26 160.45 38.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 t -74.16 165.1 25.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 55.8 t80 -164.17 135.01 4.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -122.88 99.37 6.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.48 109.59 1.27 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -69.02 -22.27 64.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.771 0.32 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -101.83 152.44 38.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.598 0.713 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 1.02 4.85 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -110.69 -3.21 28.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.91 -177.12 4.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.0 tp -120.86 145.43 47.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.462 ' O ' HD23 ' A' ' 59' ' ' LEU . 3.3 m-80 -109.98 120.0 41.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 47.0 p90 -143.13 168.6 19.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -127.06 156.13 42.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.44 104.3 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.84 -32.6 4.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.54 137.84 57.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.834 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.1 128.71 35.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.881 HG21 ' CE2' ' A' ' 66' ' ' PHE . 18.2 mt -112.87 122.13 66.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.6 m -77.1 103.52 7.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.409 ' CG1' ' HB3' ' A' ' 47' ' ' LYS . 61.7 t -68.06 106.54 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.135 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.457 HD13 ' HD2' ' A' ' 58' ' ' LYS . 5.3 pt -95.05 -37.94 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 t -139.77 107.37 5.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.509 ' HE3' ' CH2' ' A' ' 55' ' ' TRP . 3.7 ptmm? -136.06 169.4 17.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.4 p -117.35 178.19 4.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -65.95 -50.95 62.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.1 m -61.37 155.67 20.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 52' ' ' PHE . 7.7 p-80 -96.78 -62.21 1.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.436 ' C ' ' O ' ' A' ' 51' ' ' HIS . 14.6 m-85 -35.1 -39.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.54 166.91 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.491 ' CE3' HD12 ' A' ' 65' ' ' ILE . 11.8 m95 -95.75 139.09 32.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.588 ' CD2' ' HB2' ' A' ' 68' ' ' ALA . 54.9 m0 -113.62 171.49 7.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -122.38 117.08 25.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.69 179.76 16.41 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.52 ' HG3' HG23 ' A' ' 63' ' ' THR . 8.2 mtpp -125.22 137.79 54.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 35' ' ' ASN . 19.0 tp -138.1 128.41 26.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.3 mtp85 50.2 29.57 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.35 -24.8 27.44 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -69.65 166.42 19.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.938 0.399 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.52 HG23 ' HG3' ' A' ' 58' ' ' LYS . 2.6 m -145.69 140.95 27.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 179.1 178.82 48.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.527 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.491 HD12 ' CE3' ' A' ' 54' ' ' TRP . 7.6 pt -97.59 153.08 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.918 0.39 . . . . 0.0 111.098 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.881 ' CE2' HG21 ' A' ' 42' ' ' ILE . 31.3 p90 -163.74 152.53 11.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.631 0.729 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 121.49 8.17 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.588 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . . . -59.15 -20.08 50.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -68.95 -15.1 63.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -91.09 -4.69 56.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.9 m -127.27 -177.47 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.106 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.403 ' CG2' HD21 ' A' ' 23' ' ' LEU . 12.7 t -150.83 132.9 15.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.12 27.23 9.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -95.33 171.64 8.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.4 t -105.08 116.71 32.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.75 -158.25 11.19 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 135.08 29.62 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.388 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 83.4 p -83.78 166.82 17.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.0 p -93.4 142.87 26.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 179.999 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 p -103.99 175.19 5.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.889 0.376 . . . . 0.0 110.928 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -96.24 174.3 6.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.32 -124.84 0.45 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -153.92 130.36 10.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.9 0.381 . . . . 0.0 110.877 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -126.42 100.68 6.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.71 118.15 4.94 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.475 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -57.01 122.82 13.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -88.53 97.16 10.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.4 ptp85 -118.06 145.75 44.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.5 m -103.34 168.57 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 126.75 52.98 0.15 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.429 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -47.31 113.5 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.834 0.35 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tt -99.3 69.03 1.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -45.47 -42.69 10.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -173.48 144.33 1.09 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.608 0.718 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 176.84 6.21 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.697 2.265 . . . . 0.0 112.361 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.2 mt -123.45 154.32 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -110.42 123.89 50.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.7 m -131.54 143.03 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.2 m -100.02 119.21 37.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.7 110.9 1.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.498 HD21 ' CG2' ' A' ' 72' ' ' THR . 72.8 mt -67.67 -33.22 74.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -138.37 160.1 40.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.7 t -70.44 166.33 20.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.55 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 67.4 t80 -159.58 157.38 29.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.883 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -139.03 105.54 5.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.411 ' H ' ' ND2' ' A' ' 35' ' ' ASN . . . -48.28 102.3 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.435 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -67.18 -35.65 80.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 0.0 110.915 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -88.16 157.47 50.82 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.561 0.696 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 1.52 4.36 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.336 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -130.0 29.65 3.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -107.19 -178.16 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.329 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.434 HD11 ' HB3' ' A' ' 59' ' ' LEU . 9.1 tp -120.63 141.58 50.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.6 ' O ' HD23 ' A' ' 59' ' ' LEU . 3.2 m-80 -109.06 126.87 53.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.556 ' HB3' HD22 ' A' ' 59' ' ' LEU . 36.3 p90 -142.68 179.6 6.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -135.93 156.55 48.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.9 104.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.78 -31.55 4.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.463 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.17 131.56 50.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.861 0.362 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -82.72 134.04 35.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.638 HG21 ' CE2' ' A' ' 66' ' ' PHE . 18.3 mt -116.91 116.72 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 87.1 m -72.34 100.05 2.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.565 HG11 ' HD3' ' A' ' 47' ' ' LYS . 68.2 t -64.52 113.11 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.6 pt -99.79 -38.79 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.19 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.7 t -141.51 106.33 4.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.565 ' HD3' HG11 ' A' ' 44' ' ' VAL . 25.0 pttt -136.26 167.95 20.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.1 p -114.62 -179.13 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.153 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -85.34 38.47 0.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.3 m -149.92 127.34 11.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.801 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 17.5 p-80 -74.84 -56.11 5.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.449 ' H ' ' CD2' ' A' ' 51' ' ' HIS . 22.5 t80 -38.81 -43.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -65.54 163.26 16.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.465 ' CE3' HD12 ' A' ' 65' ' ' ILE . 11.7 m95 -88.94 141.24 28.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.538 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.5 m0 -117.16 171.69 7.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.979 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -119.43 115.27 23.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.64 178.5 17.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.504 ' HG3' HG23 ' A' ' 63' ' ' THR . 16.9 mtpt -120.99 136.42 54.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.6 HD23 ' O ' ' A' ' 35' ' ' ASN . 15.9 tp -134.45 128.18 32.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.457 ' HD2' ' N ' ' A' ' 60' ' ' ARG . 0.5 OUTLIER 44.24 34.07 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.79 -31.36 7.3 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' LEU . 13.6 mm100 -66.67 165.0 15.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.939 0.4 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.504 HG23 ' HG3' ' A' ' 58' ' ' LYS . 2.2 m -144.81 145.44 31.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.7 -176.91 47.55 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.517 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.465 HD12 ' CE3' ' A' ' 54' ' ' TRP . 9.7 pt -100.93 153.83 4.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.873 0.368 . . . . 0.0 111.114 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.638 ' CE2' HG21 ' A' ' 42' ' ' ILE . 49.4 p90 -163.61 152.71 12.18 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.684 0.754 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.425 ' HG2' ' CD1' ' A' ' 70' ' ' TYR . 53.8 Cg_endo -69.79 122.38 9.05 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.246 . . . . 0.0 112.356 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.801 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -57.19 -25.84 59.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.074 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -64.61 -11.56 36.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.425 ' CD1' ' HG2' ' A' ' 67' ' ' PRO . 6.3 m-85 -95.87 3.86 53.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 68' ' ' ALA . 15.5 m -135.83 173.17 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.179 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.498 ' CG2' HD21 ' A' ' 23' ' ' LEU . 14.3 t -141.54 150.87 42.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 55.3 mtp -98.69 86.74 3.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -143.81 129.46 19.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.936 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 72.8 m -103.97 107.31 18.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.18 -159.06 17.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -173.79 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.689 2.259 . . . . 0.0 112.37 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.8 m -79.12 138.43 37.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.6 p -100.93 169.33 9.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 3' ' ' SER . 49.9 p -167.71 135.06 2.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 110.857 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 2' ' ' SER . 58.9 p 37.67 42.25 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.849 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.81 133.78 3.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -167.5 118.45 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 110.89 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.5 m -52.74 -51.51 60.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.88 102.51 0.15 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -95.11 129.56 42.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.765 0.317 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -88.14 177.92 6.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -133.29 108.81 8.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.493 ' O ' HG23 ' A' ' 11' ' ' VAL . 34.1 m -91.59 121.19 41.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 43.64 -158.98 0.1 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -103.71 131.79 50.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.707 HD11 ' O ' ' A' ' 45' ' ' ILE . 0.8 OUTLIER -131.99 47.56 2.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 14' ' ' LEU . 2.3 m-20 -34.56 -42.09 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -159.48 148.93 14.55 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.575 0.703 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -174.39 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.697 2.264 . . . . 0.0 112.34 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.462 HD12 ' HD3' ' A' ' 47' ' ' LYS . 5.2 mt -125.39 154.81 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -108.52 126.58 53.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.414 HG12 ' HG2' ' A' ' 73' ' ' MET . 32.8 m -134.76 138.61 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.7 m -96.93 127.78 43.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . -68.43 105.1 2.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.081 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.9 mt -61.39 -33.18 73.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.421 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 9.7 m-85 -139.45 174.86 10.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.8 p -82.41 158.92 23.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.528 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 78.4 t80 -151.85 158.99 43.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.402 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 18.0 mt-10 -141.26 105.09 4.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -48.79 102.33 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -66.66 -35.54 80.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.75 0.31 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -89.98 155.31 47.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.552 0.691 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 1.49 4.41 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.631 2.22 . . . . 0.0 112.383 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -126.54 27.19 5.03 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -108.18 -176.63 3.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.374 . . . . 0.0 110.82 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.546 HD11 ' HB3' ' A' ' 59' ' ' LEU . 7.0 tp -121.69 138.99 54.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -105.26 124.55 49.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.528 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 45.5 p90 -138.55 176.14 8.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -131.85 154.51 49.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.421 ' HB2' ' HA ' ' A' ' 24' ' ' TYR . . . -51.35 104.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.075 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' ALA . . . 123.25 -34.96 3.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -58.82 132.09 52.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -83.22 135.32 34.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.486 HG21 ' CE1' ' A' ' 66' ' ' PHE . 18.8 mt -118.49 115.59 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.4 m -71.44 98.05 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 49.6 t -65.68 123.31 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.707 ' O ' HD11 ' A' ' 14' ' ' LEU . 3.5 pt -109.68 -37.53 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 t -140.68 107.05 5.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.517 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 5.9 ptmm? -130.71 173.59 10.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.4 p -119.87 169.95 9.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -79.59 47.1 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.1 m -158.11 133.15 8.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.425 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 7.5 m-70 -75.97 -60.23 2.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -39.41 -42.06 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -62.57 165.52 6.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -96.97 137.73 35.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.517 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 53.9 m0 -111.05 171.43 7.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -120.28 114.11 21.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.06 -173.21 13.64 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -127.08 137.73 53.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.546 ' HB3' HD11 ' A' ' 34' ' ' LEU . 5.7 tp -140.99 127.75 20.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.492 ' HG2' ' CD1' ' A' ' 59' ' ' LEU . 21.3 mmm-85 44.41 45.78 7.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.12 -25.78 4.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.524 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -71.54 166.43 21.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.93 0.395 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.2 m -151.43 145.67 25.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.26 -172.78 45.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.3 pt -102.34 153.75 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.359 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.486 ' CE1' HG21 ' A' ' 42' ' ' ILE . 49.3 p90 -164.75 152.54 10.33 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.737 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 122.95 9.61 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.235 . . . . 0.0 112.293 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -59.32 -18.79 40.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.053 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -69.39 -13.49 62.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -95.08 -4.46 46.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.422 HG11 ' CE2' ' A' ' 66' ' ' PHE . 14.0 m -130.63 -178.06 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.2 t -152.07 152.65 32.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.414 ' HG2' HG12 ' A' ' 20' ' ' VAL . 49.9 mtp -109.42 88.9 2.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -131.14 147.46 52.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.0 m -110.27 153.03 25.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.32 -159.21 15.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.506 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 130.92 20.07 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.659 2.239 . . . . 0.0 112.338 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.4 m -92.54 148.21 22.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.7 t -66.3 149.86 49.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.479 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.6 p -98.03 138.12 35.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.39 . . . . 0.0 110.82 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.1 p -87.43 -44.55 11.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.93 157.83 9.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.5 m -143.43 138.87 29.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.373 . . . . 0.0 110.853 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.9 t -130.79 120.29 23.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.77 105.5 1.12 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.472 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 37.8 p-80 -119.25 152.9 35.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.721 0.296 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -78.48 135.42 37.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 -96.67 42.98 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.1 m -85.99 40.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.06 -52.63 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.46 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 61.73 39.16 14.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.476 HD11 ' O ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -89.57 104.41 16.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -87.15 -32.49 19.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.476 ' O ' HD11 ' A' ' 14' ' ' LEU . 6.8 pt20 -151.53 144.04 16.6 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.572 0.701 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.477 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 53.6 Cg_endo -69.82 177.26 5.8 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.67 2.247 . . . . 0.0 112.327 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 19' ' ' GLU . 9.6 mt -109.96 161.66 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.449 ' N ' HG22 ' A' ' 18' ' ' ILE . 25.4 mt-10 -116.63 123.14 46.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.8 m -129.59 145.55 35.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.4 m -99.49 121.93 41.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . -60.86 112.61 2.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.453 HD21 ' CG2' ' A' ' 72' ' ' THR . 85.4 mt -69.67 -35.52 75.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.946 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -138.93 166.35 24.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.1 p -73.47 159.21 33.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.839 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 75.6 t80 -155.77 158.77 38.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 8.3 mt-10 -143.35 107.03 4.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -48.09 101.81 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -65.85 -35.18 79.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.758 0.313 . . . . 0.0 110.887 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -91.87 157.43 41.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.543 0.687 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 2.51 3.45 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.667 2.244 . . . . 0.0 112.386 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -126.26 26.43 5.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.532 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -108.62 -177.47 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.7 tp -120.63 147.91 44.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.487 ' O ' HD23 ' A' ' 59' ' ' LEU . 20.5 m-80 -110.18 122.85 48.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 53.9 p90 -142.0 172.21 12.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -129.43 159.99 34.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.9 104.39 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' ALA . . . 121.96 -28.51 5.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.52 127.56 31.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.831 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.1 mmm-85 -80.75 126.29 31.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.466 HG21 ' CE2' ' A' ' 66' ' ' PHE . 15.2 mt -110.67 122.81 65.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.45 HG22 ' HB2' ' A' ' 17' ' ' PRO . 23.0 m -79.33 97.23 6.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 17' ' ' PRO . 51.5 t -63.06 113.11 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.1 pt -97.04 -37.28 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 t -142.89 110.2 5.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.515 ' HB2' ' CG ' ' A' ' 55' ' ' TRP . 13.0 pttm -128.55 179.65 5.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.0 p -125.62 -179.12 4.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.162 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.61 -62.58 1.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.6 t -58.15 142.53 46.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.474 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 34.0 p-80 -82.4 -56.82 3.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' HIS . 25.2 m-85 -36.98 -41.53 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -55.65 165.1 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.556 ' CH2' ' HD3' ' A' ' 67' ' ' PRO . 11.5 m95 -92.51 139.39 30.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.515 ' CG ' ' HB2' ' A' ' 47' ' ' LYS . 54.6 m0 -111.24 170.93 7.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -118.99 112.29 19.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.14 -177.12 14.78 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -127.42 138.14 52.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.492 ' CD1' ' HG2' ' A' ' 60' ' ' ARG . 5.3 tp -142.29 128.07 19.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.914 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.492 ' HG2' ' CD1' ' A' ' 59' ' ' LEU . 16.3 mmm-85 44.32 54.23 6.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.84 42.67 99.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -133.14 167.28 20.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.7 m -146.77 137.3 23.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 179.24 173.92 44.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.501 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.6 pt -99.79 147.38 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 111.131 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.487 ' HA ' ' CE3' ' A' ' 54' ' ' TRP . 49.4 p90 -157.24 152.62 21.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.653 0.739 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.556 ' HD3' ' CH2' ' A' ' 54' ' ' TRP . 53.7 Cg_endo -69.82 121.5 8.17 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.628 2.219 . . . . 0.0 112.344 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -58.51 -20.46 46.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -68.72 -11.69 60.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -96.02 -2.52 46.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.5 m -130.36 176.35 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.162 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.453 ' CG2' HD21 ' A' ' 23' ' ' LEU . 9.0 t -137.2 130.5 31.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.9 tmm? -113.22 95.42 5.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -112.84 -49.71 2.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.3 t 47.33 45.61 16.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -148.53 147.08 17.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 78' ' ' SER . 54.2 Cg_endo -69.75 -4.19 13.51 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.241 . . . . 0.0 112.34 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 77' ' ' PRO . 6.2 t -34.6 -64.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.8 m -103.62 143.8 32.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.414 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.185 0 CA-C-O 120.786 0.244 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.439 HD12 ' HD3' ' A' ' 47' ' ' LYS . 3.2 mt -118.11 153.49 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -109.68 122.9 48.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.4 m -128.5 147.45 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.2 m -104.0 116.97 33.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.91 112.05 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.645 HD21 ' HB ' ' A' ' 72' ' ' THR . 40.8 mt -70.09 -30.43 67.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -142.41 157.97 44.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.9 m -72.77 154.58 40.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.914 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 81.5 t80 -149.44 148.55 29.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -129.18 102.32 6.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.486 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -78.87 -175.28 4.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.831 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.1 tp -120.31 153.18 36.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.471 ' O ' HD23 ' A' ' 59' ' ' LEU . 21.5 m120 -118.02 117.63 29.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 42.9 p90 -141.3 176.13 9.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -138.45 152.2 48.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.09 105.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.07 -35.97 3.22 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.48 127.46 32.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.9 mmm-85 -81.65 129.11 34.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.516 HG21 ' CE1' ' A' ' 66' ' ' PHE . 14.9 mt -111.0 128.74 67.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.9 m -82.19 101.9 10.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.4 t -67.62 106.94 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.7 pt -94.87 -38.16 8.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 t -143.24 105.33 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.538 ' HE3' ' CZ2' ' A' ' 55' ' ' TRP . 11.0 ptmt -130.59 170.01 14.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 60.8 p -112.96 175.94 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -89.4 44.36 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.2 m -146.57 132.14 18.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 53.0 m80 -80.43 -27.73 37.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -89.51 46.84 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -149.98 165.19 33.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -91.59 133.3 35.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.538 ' CZ2' ' HE3' ' A' ' 47' ' ' LYS . 51.3 m0 -110.39 174.11 6.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 56.0 tt0 -120.18 112.05 18.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -124.68 -176.17 14.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -130.08 133.97 47.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.322 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 35' ' ' ASN . 10.8 tp -143.39 145.34 32.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 41.56 45.11 2.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.42 37.29 94.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -132.45 175.72 9.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.919 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.7 m -147.44 140.75 25.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.09 177.05 48.31 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.2 pt -99.76 148.6 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.88 0.371 . . . . 0.0 111.12 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.516 ' CE1' HG21 ' A' ' 42' ' ' ILE . 50.1 p90 -159.35 152.41 18.37 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.673 0.749 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.42 ' HG2' ' CD1' ' A' ' 70' ' ' TYR . 54.1 Cg_endo -69.73 122.97 9.65 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.527 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . . . -58.54 -25.63 62.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.074 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -64.38 -11.41 32.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.42 ' CD1' ' HG2' ' A' ' 67' ' ' PRO . 6.2 m-85 -96.97 2.05 51.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.9 m -133.37 -179.46 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.645 ' HB ' HD21 ' A' ' 23' ' ' LEU . 9.2 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.777 0.24 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.6 mt -121.28 147.66 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -100.75 123.18 44.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.0 m -128.34 139.87 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.5 m -97.74 121.33 39.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.98 111.96 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.128 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.683 HD21 ' CG2' ' A' ' 72' ' ' THR . 39.3 mt -67.42 -32.4 73.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.438 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 20.9 m-85 -142.28 168.41 19.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.982 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 80.7 p -77.2 150.91 35.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 79.7 t80 -150.83 154.9 38.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -142.64 109.36 5.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.88 179.84 0.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.857 0.36 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 tp -120.07 143.41 48.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -108.26 127.71 54.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 41.5 p90 -141.66 179.37 6.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 -133.86 154.76 50.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.438 ' HB2' ' HA ' ' A' ' 24' ' ' TYR . . . -52.67 103.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.113 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.32 -29.81 5.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.53 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.32 127.89 33.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 0.0 110.832 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -81.27 130.73 35.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.7 mt -111.9 131.04 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.2 m -83.02 96.71 8.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.427 HG11 ' HD2' ' A' ' 47' ' ' LYS . 61.1 t -64.55 110.99 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.136 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.414 HD13 ' HD2' ' A' ' 58' ' ' LYS . 5.2 pt -97.35 -38.0 7.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.3 t -142.82 114.2 7.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HD2' HG11 ' A' ' 44' ' ' VAL . 17.8 ptmt -130.45 164.92 23.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.8 p -110.16 176.83 4.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -88.09 60.34 5.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.5 t -169.86 142.49 2.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.64 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 17.4 m170 -75.91 -64.18 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -43.52 -52.97 5.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -42.92 155.8 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.45 ' CE3' HD12 ' A' ' 65' ' ' ILE . 10.9 m0 -91.39 141.85 28.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.427 ' CZ2' ' HE3' ' A' ' 47' ' ' LYS . 50.8 m0 -112.76 173.42 6.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -122.06 115.78 23.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -127.71 -178.22 15.23 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.414 ' HD2' HD13 ' A' ' 45' ' ' ILE . 7.2 mtpp -127.19 132.46 50.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.416 HD22 ' HB3' ' A' ' 36' ' ' PHE . 7.8 tp -143.06 144.28 32.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 43.34 46.41 5.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.41 42.23 97.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.5 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -138.04 168.68 19.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.379 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.7 m -138.36 137.99 37.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.179 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -178.89 172.38 44.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.45 HD12 ' CE3' ' A' ' 54' ' ' TRP . 5.8 pt -97.2 155.87 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 111.184 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -164.31 152.28 10.78 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.665 0.745 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 122.99 9.64 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.614 2.209 . . . . 0.0 112.353 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -59.7 -16.13 24.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -72.11 -13.37 61.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -94.82 -4.73 46.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.6 m -130.08 177.31 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.683 ' CG2' HD21 ' A' ' 23' ' ' LEU . 13.5 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.194 0 CA-C-O 120.757 0.232 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.4 mt -121.12 144.59 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -101.16 124.02 46.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.8 m -128.92 144.24 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.2 m -99.98 118.27 36.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.61 118.89 7.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.421 HD21 ' HB ' ' A' ' 72' ' ' THR . 73.2 mt -72.73 -35.47 67.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -136.81 157.46 46.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.1 t -70.22 162.15 28.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 61.5 t80 -160.26 157.56 28.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.4 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 11.4 mt-10 -140.67 106.98 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.544 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -105.11 -178.19 3.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.786 0.326 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.4 tp -120.36 143.97 48.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -110.79 124.55 52.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.576 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 35.2 p90 -140.62 -179.87 6.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -132.71 165.74 23.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.96 104.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.82 -1.77 25.91 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.28 126.61 32.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.818 0.342 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -76.4 124.85 28.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.68 HG21 ' CE2' ' A' ' 66' ' ' PHE . 18.9 mt -111.96 116.41 52.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.8 m -70.92 94.31 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.05 109.97 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.3 pt -94.82 -39.56 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.3 t -140.54 113.25 8.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.524 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 26.7 pttt -137.73 167.56 21.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.1 p -114.79 177.31 4.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.181 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -83.75 39.85 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.3 p -150.52 124.07 9.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.706 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 7.3 p80 -70.89 -59.02 3.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -39.98 -37.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.98 161.39 26.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -87.47 138.15 31.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.524 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.4 m0 -112.45 170.15 8.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -118.14 116.52 27.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.05 -176.39 14.43 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.542 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -130.58 132.54 45.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.2 tp -144.03 144.16 31.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 44.98 42.85 6.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.49 37.37 94.58 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -133.01 171.59 13.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 m -141.78 139.92 32.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.68 173.34 45.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.9 pt -97.0 151.33 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.68 ' CE2' HG21 ' A' ' 42' ' ' ILE . 46.0 p90 -160.36 152.39 16.89 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.629 0.728 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 122.22 8.9 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.25 . . . . 0.0 112.319 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -57.49 -30.28 64.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -58.69 -14.23 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -96.84 11.09 37.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 68' ' ' ALA . 7.9 m -143.48 172.22 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.119 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.421 ' HB ' HD21 ' A' ' 23' ' ' LEU . 13.3 t . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.782 0.243 . . . . 0.0 112.365 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.8 mt -118.59 149.94 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -104.57 122.13 44.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.5 m -124.96 148.94 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.3 m -104.44 112.79 25.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.31 112.55 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.468 HD21 ' HB ' ' A' ' 72' ' ' THR . 57.3 mt -71.31 -31.23 67.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -143.0 160.35 40.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.7 p -71.75 161.41 31.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 62.0 t80 -161.18 153.04 19.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -138.15 106.73 5.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.2 -176.95 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.843 0.354 . . . . 0.0 110.826 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.401 ' HG ' ' N ' ' A' ' 35' ' ' ASN . 23.3 tp -122.03 153.85 38.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.599 ' O ' HD23 ' A' ' 59' ' ' LEU . 25.0 m120 -114.62 121.61 43.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 45.0 p90 -142.85 175.91 9.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -136.7 157.58 46.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.02 104.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.46 -32.2 4.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.46 131.86 51.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.412 ' HD3' ' N ' ' A' ' 41' ' ' ARG . 1.8 mpp_? -85.32 121.09 27.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.631 HG21 ' CE1' ' A' ' 66' ' ' PHE . 17.5 mt -103.71 120.29 53.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.6 m -76.79 97.55 4.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.168 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.29 111.69 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.9 pt -98.0 -38.72 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 t -142.51 113.27 7.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.507 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 18.2 pttm -130.02 175.15 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 79.5 p -118.22 -179.59 3.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -87.06 44.08 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.6 m -162.27 135.22 5.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.634 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 2.1 p80 -78.47 -50.73 11.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -44.64 -39.79 5.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -66.83 166.31 13.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.468 ' CE3' HD12 ' A' ' 65' ' ' ILE . 11.6 m95 -92.43 139.06 30.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.507 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.5 m0 -111.52 170.37 8.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.956 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -115.43 113.15 23.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.47 -175.08 14.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.9 mtpt -132.86 134.51 44.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.321 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 35' ' ' ASN . 16.9 tp -143.51 146.83 33.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 40.69 46.65 2.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.73 39.25 96.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.519 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -135.68 174.38 10.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.4 m -144.32 141.47 29.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 179.43 170.41 41.18 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.468 HD12 ' CE3' ' A' ' 54' ' ' TRP . 7.9 pt -92.61 153.25 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.807 0.337 . . . . 0.0 111.175 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.631 ' CE1' HG21 ' A' ' 42' ' ' ILE . 51.1 p90 -163.74 152.41 11.73 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.659 0.742 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.408 ' HD3' ' CH2' ' A' ' 54' ' ' TRP . 53.7 Cg_endo -69.76 121.58 8.27 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.636 2.224 . . . . 0.0 112.367 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -58.98 -24.76 63.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.089 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -64.36 -12.23 40.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -98.13 5.53 48.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.6 m -137.47 172.82 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.468 ' HB ' HD21 ' A' ' 23' ' ' LEU . 13.4 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.78 0.242 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mt -115.2 147.54 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -110.39 124.57 51.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.8 m -127.1 153.02 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.4 m -108.09 112.01 24.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.92 114.98 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.412 HD21 ' HB ' ' A' ' 72' ' ' THR . 94.2 mt -70.07 -35.32 74.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -138.55 176.5 8.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.9 p -80.32 163.08 24.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.498 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 12.2 t80 -158.91 140.54 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -130.76 101.43 5.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.45 ' H ' ' ND2' ' A' ' 35' ' ' ASN . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.458 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.0 179.4 7.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.415 ' O ' ' CE1' ' A' ' 26' ' ' PHE . 10.5 tp -121.0 141.38 50.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.45 ' ND2' ' H ' ' A' ' 28' ' ' GLY . 2.7 m-80 -108.72 121.41 44.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.498 ' CZ ' ' CB ' ' A' ' 26' ' ' PHE . 42.6 p90 -137.55 174.25 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -129.44 157.55 41.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.52 101.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.32 -34.2 3.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.49 130.07 43.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.762 0.315 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -80.87 132.86 35.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.416 HG21 ' CE1' ' A' ' 66' ' ' PHE . 16.7 mt -115.99 119.66 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 93.1 m -74.81 102.24 4.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.496 HG11 ' HG2' ' A' ' 47' ' ' LYS . 59.1 t -68.62 125.23 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 pt -112.23 -37.04 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.4 t -141.67 106.57 4.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.536 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -139.27 169.37 17.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.1 p -113.07 177.82 4.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -89.54 47.26 1.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -149.2 123.22 9.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -72.16 -26.83 62.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -88.75 48.95 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -153.19 157.62 40.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.477 ' CE3' HD12 ' A' ' 65' ' ' ILE . 15.7 m95 -84.17 129.18 34.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.536 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.1 m0 -109.53 176.32 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -122.41 115.44 22.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.24 177.7 17.79 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.6 ' HG3' HG23 ' A' ' 63' ' ' THR . 27.9 mtpt -123.11 141.09 52.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 35.3 tp -142.96 129.31 19.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.5 mtt-85 47.84 32.41 2.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.82 -27.25 11.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -71.72 161.03 31.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.6 HG23 ' HG3' ' A' ' 58' ' ' LYS . 1.8 m -140.36 150.03 43.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 173.39 -179.32 44.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.477 HD12 ' CE3' ' A' ' 54' ' ' TRP . 6.0 pt -100.49 154.79 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.515 ' CE2' HG11 ' A' ' 71' ' ' VAL . 48.5 p90 -165.09 152.37 9.71 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.688 0.756 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 121.5 8.18 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.314 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.446 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . . . -57.36 -19.03 20.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -68.64 -14.29 62.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -95.71 6.02 49.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.515 HG11 ' CE2' ' A' ' 66' ' ' PHE . 3.7 m -139.08 176.95 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.174 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.412 ' HB ' HD21 ' A' ' 23' ' ' LEU . 9.7 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.773 0.239 . . . . 0.0 112.365 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 mt -127.11 158.22 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -113.81 122.8 48.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.7 m -127.74 149.69 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.3 m -105.24 117.91 35.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.02 112.75 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.638 HD21 ' CG2' ' A' ' 72' ' ' THR . 83.4 mt -67.19 -33.99 76.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -139.93 170.78 15.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.1 p -74.68 167.02 22.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 52.8 t80 -161.94 153.17 18.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -140.64 107.59 5.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.84 -175.35 2.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.823 0.344 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.0 tp -119.92 154.78 33.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.476 ' O ' HD23 ' A' ' 59' ' ' LEU . 23.2 m120 -118.5 117.67 29.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 47.8 p90 -139.95 175.88 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -134.32 160.83 36.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.34 103.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.42 -32.49 4.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.5 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.74 130.02 44.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.61 130.58 35.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.409 HG21 ' CE1' ' A' ' 66' ' ' PHE . 19.7 mt -113.59 123.61 69.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.2 m -74.31 102.72 4.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.5 t -69.94 110.22 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.471 HD11 ' HG2' ' A' ' 56' ' ' GLU . 3.3 pt -97.78 -39.2 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -135.85 116.5 13.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.522 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 11.3 ptmt -149.04 -175.38 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.08 154.53 38.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.4 -39.89 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.881 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.0 p -72.49 119.81 17.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.474 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 9.0 p-80 -79.88 -40.35 28.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -44.37 -44.25 8.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.27 172.2 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.573 ' CE3' HD12 ' A' ' 65' ' ' ILE . 10.4 m95 -95.97 136.17 36.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.522 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.9 m0 -109.65 169.06 8.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.471 ' HG2' HD11 ' A' ' 45' ' ' ILE . 41.5 tt0 -121.25 120.14 34.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -126.28 179.49 16.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.468 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.404 ' HD2' HD13 ' A' ' 45' ' ' ILE . 8.3 mtpp -129.24 133.67 47.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 35' ' ' ASN . 7.0 tp -145.56 142.83 29.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.966 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 47.52 41.68 13.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.06 39.06 97.57 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -134.98 167.65 20.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.923 0.392 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -137.36 138.46 39.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -173.82 171.9 44.86 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.435 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.573 HD12 ' CE3' ' A' ' 54' ' ' TRP . 6.7 pt -99.87 155.61 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.368 . . . . 0.0 111.095 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.409 ' CE1' HG21 ' A' ' 42' ' ' ILE . 50.9 p90 -167.42 152.57 6.95 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.624 0.726 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 121.61 8.3 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.355 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.517 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . . . -59.24 -17.14 25.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -69.22 -16.25 63.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -89.26 -10.76 45.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.2 m -120.84 172.91 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.638 ' CG2' HD21 ' A' ' 23' ' ' LEU . 8.8 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.784 0.243 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.483 ' CD1' ' HE3' ' A' ' 47' ' ' LYS . 5.0 mt -127.58 151.12 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.07 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -108.12 124.75 50.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.9 m -131.09 154.05 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.196 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.3 m -108.4 120.48 42.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.538 ' HA ' HG12 ' A' ' 71' ' ' VAL . . . -62.08 105.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.504 HD21 ' CG2' ' A' ' 72' ' ' THR . 80.7 mt -62.02 -32.06 72.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -137.28 170.31 16.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.4 p -76.11 167.27 22.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.549 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 17.9 t80 -163.92 142.51 7.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -135.14 105.71 6.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 -179.939 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -81.09 -176.7 6.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.894 0.378 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.3 tp -121.35 143.49 49.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -111.47 120.75 43.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.549 ' CZ ' ' CB ' ' A' ' 26' ' ' PHE . 52.2 p90 -139.28 174.67 10.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -132.38 163.86 27.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.03 103.07 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.73 -33.9 3.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -55.8 132.71 50.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.771 0.32 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.03 130.82 34.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.841 HG21 ' CE2' ' A' ' 66' ' ' PHE . 19.2 mt -112.57 116.88 53.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.5 m -74.55 95.66 2.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.85 118.03 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.6 pt -104.43 -38.07 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 t -146.55 110.96 5.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.508 ' HB2' ' CG ' ' A' ' 55' ' ' TRP . 12.3 pttp -126.76 -177.71 4.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.9 p -123.33 -179.22 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -89.05 43.22 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.4 m -159.2 135.07 8.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.46 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 52.7 m80 -74.54 -63.15 1.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -38.64 -40.54 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.78 166.52 2.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.841 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -95.67 136.86 35.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.565 ' CD2' ' HB2' ' A' ' 68' ' ' ALA . 54.8 m0 -111.34 172.43 6.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -118.77 113.34 20.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.56 -177.7 15.0 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -128.83 139.62 52.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.7 tp -141.56 129.47 21.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.5 mtp85 46.41 32.28 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.13 -28.56 10.4 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -69.13 156.92 37.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.8 m -138.78 143.82 39.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.57 -176.96 48.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.467 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.3 pt -99.15 156.49 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.372 . . . . 0.0 111.101 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.841 ' CE2' HG21 ' A' ' 42' ' ' ILE . 22.3 p90 -167.66 151.56 6.15 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.678 0.751 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 122.63 9.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.37 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.565 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . . . -64.04 -11.24 27.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.084 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -75.12 -15.29 60.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -89.5 -10.04 47.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.538 HG12 ' HA ' ' A' ' 22' ' ' ALA . 15.4 m -121.38 173.52 7.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.504 ' CG2' HD21 ' A' ' 23' ' ' LEU . 13.6 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.829 0.262 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.5 mt -118.79 157.58 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -113.34 123.07 49.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.6 m -130.26 146.26 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.0 m -101.81 117.29 34.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.86 105.24 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.8 mt -61.69 -31.09 71.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -139.95 160.99 38.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.7 t -73.67 162.94 28.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.82 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 66.4 t80 -159.22 164.39 35.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.51 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 36.3 mt-10 -150.87 112.13 4.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.482 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -57.85 176.83 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.36 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.4 tp -121.54 141.66 50.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -105.94 127.66 53.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 31.8 p90 -141.29 -178.7 5.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -136.79 152.43 50.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.54 104.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.102 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.61 -33.7 4.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -58.22 132.91 54.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.755 0.312 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -82.98 123.62 29.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.91 HG21 ' CE2' ' A' ' 66' ' ' PHE . 19.3 mt -106.03 111.2 34.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.3 m -67.3 97.64 0.56 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.587 HG11 ' HG2' ' A' ' 47' ' ' LYS . 84.0 t -64.82 114.73 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.5 pt -102.72 -39.29 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.7 t -140.29 105.15 4.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.587 ' HG2' HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -131.79 166.6 21.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.88 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.5 p -116.59 174.09 6.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.09 44.7 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.9 m -142.73 116.3 9.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.685 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 27.6 p-80 -64.81 -38.55 91.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.816 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -68.49 -43.47 76.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -55.77 161.74 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.475 ' CE3' HD12 ' A' ' 65' ' ' ILE . 10.5 m0 -92.88 139.78 30.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.52 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 52.5 m0 -112.18 171.06 7.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -120.82 115.18 22.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.83 -175.94 14.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -127.3 138.04 52.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.868 0.366 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.9 tp -138.34 128.32 25.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 46.99 34.79 2.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.87 -28.73 8.87 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -67.55 162.96 22.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.858 0.361 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.0 m -143.5 144.5 32.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.01 -179.59 46.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.475 HD12 ' CE3' ' A' ' 54' ' ' TRP . 7.5 pt -97.82 158.0 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 111.105 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.91 ' CE2' HG21 ' A' ' 42' ' ' ILE . 41.1 p90 -166.17 152.61 8.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.641 0.734 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 121.49 8.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.353 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -56.43 -26.97 55.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.121 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -61.76 -13.51 24.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -97.41 12.56 32.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 68' ' ' ALA . 13.1 m -145.36 177.37 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.739 0.225 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.424 HD12 ' HD3' ' A' ' 47' ' ' LYS . 3.9 mt -119.3 159.64 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.123 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -115.26 124.69 51.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.7 m -131.71 157.85 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.5 m -111.16 122.11 47.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.52 105.42 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.078 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.555 HD21 ' HB ' ' A' ' 72' ' ' THR . 54.8 mt -61.77 -33.45 74.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -139.38 155.9 47.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.4 m -69.2 158.56 34.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 79.6 t80 -151.44 162.31 41.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.464 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 40.7 mt-10 -143.06 105.4 4.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 -179.944 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -108.26 -174.99 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.9 tp -119.92 147.02 45.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.616 ' O ' HD23 ' A' ' 59' ' ' LEU . 26.2 m120 -108.04 118.08 35.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 55.2 p90 -141.2 161.83 36.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -123.17 161.37 24.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.93 104.29 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.57 -34.34 3.82 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.83 131.44 50.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.342 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -82.44 130.55 35.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.602 HG21 ' CE1' ' A' ' 66' ' ' PHE . 18.9 mt -111.18 118.89 58.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.5 m -71.87 98.74 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 47' ' ' LYS . 59.5 t -67.51 111.49 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.3 pt -96.94 -38.58 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 t -143.05 105.49 4.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.528 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 13.9 pttm -121.3 177.26 5.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.3 p -126.89 172.77 10.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -62.75 -59.98 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.8 m -57.02 143.82 36.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 52' ' ' PHE . 22.2 m-70 -83.75 -63.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 51' ' ' HIS . 30.6 m-85 -35.7 -39.98 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -54.51 161.16 1.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.435 ' CE3' HD12 ' A' ' 65' ' ' ILE . 11.8 m95 -91.34 139.87 30.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.648 ' CD2' ' HB2' ' A' ' 68' ' ' ALA . 54.8 m0 -112.11 174.37 5.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -120.87 112.44 18.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -124.56 -178.25 15.28 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -130.15 132.34 46.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.821 0.343 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 35' ' ' ASN . 21.7 tp -141.95 144.29 33.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 44.01 47.68 7.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.08 37.98 92.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -134.23 172.5 12.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.913 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 m -142.75 139.33 31.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -176.61 176.25 47.83 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.519 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.435 HD12 ' CE3' ' A' ' 54' ' ' TRP . 6.0 pt -98.72 155.6 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.886 0.374 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.602 ' CE1' HG21 ' A' ' 42' ' ' ILE . 50.5 p90 -168.07 152.09 6.03 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.628 0.728 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 121.48 8.17 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.355 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.648 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . . . -61.91 -11.26 12.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -71.69 -22.9 61.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -87.52 -5.4 58.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.506 HG11 ' CE2' ' A' ' 66' ' ' PHE . 3.5 m -123.65 170.21 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.159 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.555 ' HB ' HD21 ' A' ' 23' ' ' LEU . 8.7 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.193 0 CA-C-O 120.73 0.221 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mt -117.8 153.5 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.161 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -112.48 127.31 56.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.2 m -135.83 149.64 28.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.3 m -106.17 117.72 34.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.88 109.76 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.088 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.514 HD21 ' CG2' ' A' ' 72' ' ' THR . 83.0 mt -64.84 -33.69 76.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.401 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 17.7 m-85 -140.81 169.88 16.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 96.4 p -75.0 166.25 23.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 52.1 t80 -162.84 157.39 21.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -140.78 105.42 4.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -101.04 -176.73 3.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.85 0.357 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.8 tp -120.08 148.99 42.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.458 ' O ' HD23 ' A' ' 59' ' ' LEU . 24.2 m120 -112.94 119.06 36.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 51.5 p90 -140.58 177.41 8.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -137.23 153.78 50.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.401 ' HB2' ' HA ' ' A' ' 24' ' ' TYR . . . -49.4 104.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.08 -31.81 4.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.84 127.19 30.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.7 mmt-85 -78.07 137.73 38.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.576 HG21 ' CE2' ' A' ' 66' ' ' PHE . 19.6 mt -118.66 118.6 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.5 m -74.25 94.52 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.07 117.4 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.425 HD13 ' HD2' ' A' ' 58' ' ' LYS . 3.6 pt -102.41 -38.43 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.9 t -141.38 107.05 5.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.538 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -135.37 162.36 32.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 58.7 p -108.26 172.26 6.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -61.03 -46.43 90.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.4 m -63.32 145.69 55.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.678 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 30.8 p-80 -90.88 -56.11 3.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -40.44 -42.92 1.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.37 159.33 4.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -85.55 143.12 28.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.538 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.8 m0 -116.13 171.29 7.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -118.55 113.57 21.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.86 -178.14 15.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.53 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.425 ' HD2' HD13 ' A' ' 45' ' ' ILE . 26.4 mtpt -128.32 138.28 52.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.858 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 35' ' ' ASN . 11.1 tp -143.69 128.39 18.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 49.19 32.37 4.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.82 -25.67 13.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.503 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -73.23 148.6 43.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.899 0.381 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.2 m -130.71 143.02 50.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.21 173.73 43.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.444 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.0 pt -92.32 156.75 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.392 . . . . 0.0 111.058 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.576 ' CE2' HG21 ' A' ' 42' ' ' ILE . 48.6 p90 -165.96 152.57 8.74 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.666 0.746 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 121.46 8.15 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -59.27 -23.91 62.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -64.32 -12.63 43.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -95.25 0.5 53.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.1 m -134.29 168.2 24.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.514 ' CG2' HD21 ' A' ' 23' ' ' LEU . 14.7 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.724 0.219 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.8 mt -123.49 157.28 29.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -114.96 122.32 45.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.4 m -124.9 144.45 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.8 m -99.88 120.44 39.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.178 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . -62.63 111.91 2.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.477 HD21 ' CG2' ' A' ' 72' ' ' THR . 55.3 mt -70.18 -29.18 65.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.428 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 25.8 m-85 -142.91 156.9 44.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.4 m -71.92 152.47 42.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 79.3 t80 -147.42 162.17 39.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.46 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 29.8 mt-10 -144.55 107.69 4.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.5 ' H ' ' ND2' ' A' ' 35' ' ' ASN . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -107.21 -177.19 3.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.4 tp -120.18 144.0 47.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.5 ' ND2' ' H ' ' A' ' 28' ' ' GLY . 2.2 m-80 -111.12 122.29 47.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.568 ' HB3' HD22 ' A' ' 59' ' ' LEU . 49.0 p90 -140.35 174.71 10.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -128.08 159.76 34.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.428 ' HB2' ' HA ' ' A' ' 24' ' ' TYR . . . -59.57 104.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 22' ' ' ALA . . . 125.13 -33.24 3.73 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.56 138.95 57.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 110.841 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.467 ' HD3' ' N ' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -89.7 127.28 35.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.471 HG21 ' CE2' ' A' ' 66' ' ' PHE . 15.5 mt -108.82 127.59 65.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.6 m -80.22 99.54 7.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.3 t -65.17 115.68 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.7 pt -104.64 -36.26 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.6 t -142.5 107.86 5.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.484 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 4.3 ptmm? -138.33 170.23 16.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.8 p -117.26 -179.4 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -70.16 -43.86 69.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 72.8 m -65.9 146.48 54.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.504 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 10.9 m170 -88.26 -62.43 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.416 ' C ' ' O ' ' A' ' 51' ' ' HIS . 6.7 t80 -36.5 -40.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -56.0 157.39 4.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.407 ' CE3' HD12 ' A' ' 65' ' ' ILE . 11.3 m95 -87.58 138.36 31.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.484 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.9 m0 -111.97 173.63 6.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -122.26 116.87 24.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.98 -178.62 15.46 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.479 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -125.7 132.57 52.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.568 HD22 ' HB3' ' A' ' 36' ' ' PHE . 15.6 tp -144.92 144.88 31.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 45.23 41.18 5.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.76 35.52 92.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -131.56 173.34 11.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 110.959 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.3 m -143.67 140.33 30.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.15 -176.52 46.98 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.407 HD12 ' CE3' ' A' ' 54' ' ' TRP . 7.7 pt -105.1 151.57 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.471 ' CE2' HG21 ' A' ' 42' ' ' ILE . 47.5 p90 -161.54 152.56 15.31 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.474 ' HG2' ' CD1' ' A' ' 70' ' ' TYR . 53.8 Cg_endo -69.76 123.01 9.68 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.667 2.245 . . . . 0.0 112.35 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -59.23 -21.2 59.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -65.33 -16.09 63.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.474 ' CD1' ' HG2' ' A' ' 67' ' ' PRO . 10.3 m-85 -91.71 -1.74 57.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.5 m -131.29 175.34 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.477 ' CG2' HD21 ' A' ' 23' ' ' LEU . 11.4 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.177 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.707 0.211 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.53 HD12 ' HE3' ' A' ' 47' ' ' LYS . 6.7 mt -121.79 146.61 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.149 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -105.04 121.94 44.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.1 m -126.6 149.76 31.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -106.0 121.02 43.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.87 107.97 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 70' ' ' TYR . 61.4 mt -61.56 -30.62 70.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -143.81 166.21 25.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 97.9 p -76.12 157.69 32.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 73.7 t80 -156.45 153.14 28.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -138.96 107.02 5.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.475 -179.94 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.85 -175.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.405 ' HB2' ' CA ' ' A' ' 64' ' ' GLY . 16.0 tp -120.13 152.69 37.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.523 ' O ' HD23 ' A' ' 59' ' ' LEU . 20.0 m120 -116.52 120.43 38.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.54 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 42.3 p90 -142.36 174.11 10.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -130.78 157.86 41.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.71 104.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.47 -35.69 3.65 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.508 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -53.59 128.76 30.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -81.84 128.71 34.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.514 HG21 ' CE2' ' A' ' 66' ' ' PHE . 17.8 mt -110.77 127.6 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.0 m -80.7 99.13 8.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.47 115.14 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.168 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.2 pt -103.72 -38.05 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -145.13 115.83 7.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.53 ' HE3' HD12 ' A' ' 18' ' ' ILE . 12.4 pttp -137.22 178.3 7.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 74.7 p -121.51 171.61 8.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -78.65 47.84 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -163.33 139.71 7.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.501 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 30.6 p-80 -81.95 -54.37 5.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -41.87 -39.84 1.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.76 163.71 16.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 12.5 m95 -92.18 136.25 33.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.959 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.519 ' CG ' ' HB2' ' A' ' 47' ' ' LYS . 54.9 m0 -109.76 170.38 8.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -117.43 115.11 24.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -127.9 176.57 17.99 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.594 ' HG3' HG23 ' A' ' 63' ' ' THR . 21.1 mtpt -124.17 137.25 54.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.761 0.315 . . . . 0.0 110.947 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 35' ' ' ASN . 10.5 tp -141.83 128.7 20.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.437 ' HG2' ' CD1' ' A' ' 59' ' ' LEU . 45.3 mmm-85 45.96 43.58 10.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.64 -24.81 4.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.478 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -73.37 159.7 32.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.917 0.389 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.594 HG23 ' HG3' ' A' ' 58' ' ' LYS . 3.7 m -146.24 142.16 28.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.405 ' CA ' ' HB2' ' A' ' 34' ' ' LEU . . . 178.51 175.22 45.43 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.6 pt -90.83 152.98 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 0.0 111.154 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.514 ' CE2' HG21 ' A' ' 42' ' ' ILE . 49.3 p90 -163.56 152.55 12.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.627 0.727 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 122.66 9.36 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.254 . . . . 0.0 112.36 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -59.9 -18.75 47.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.096 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.643 ' ND2' ' H ' ' A' ' 69' ' ' ASN . 0.1 OUTLIER -70.3 -14.46 62.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.418 ' O ' ' N ' ' A' ' 23' ' ' LEU . 4.2 m-85 -91.3 -10.15 42.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 m -127.11 -178.18 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 -179.94 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.49 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.829 0.262 . . . . 0.0 112.304 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 19' ' ' GLU . 5.4 mt -121.04 161.94 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.412 ' N ' HG22 ' A' ' 18' ' ' ILE . 33.7 mt-10 -116.16 122.39 44.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.7 m -128.88 141.26 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.7 m -97.0 119.13 34.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 37' ' ' GLN . . . -61.93 108.54 1.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.618 HD21 ' CG2' ' A' ' 72' ' ' THR . 53.9 mt -65.44 -28.68 69.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -142.1 169.55 17.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.1 p -77.57 162.97 26.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.582 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 51.1 t80 -151.9 164.89 36.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.516 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 36.9 mt-10 -152.05 110.49 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.458 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -106.21 -175.16 2.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.854 0.359 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.1 tp -122.13 153.7 38.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -119.4 118.88 32.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.582 ' CZ ' ' CB ' ' A' ' 26' ' ' PHE . 53.9 p90 -139.66 175.35 9.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.44 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 3.1 mm100 -133.0 164.26 27.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.31 103.67 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.95 -26.95 6.62 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.56 129.1 38.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.741 0.305 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.423 ' HD3' ' N ' ' A' ' 41' ' ' ARG . 1.5 mpp_? -80.47 127.71 32.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.436 HG21 ' CE1' ' A' ' 66' ' ' PHE . 15.4 mt -109.83 119.36 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.0 m -75.42 97.96 3.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 17' ' ' PRO . 41.9 t -66.44 120.13 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.663 HD13 ' HD2' ' A' ' 58' ' ' LYS . 2.4 pt -103.95 -36.66 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -144.28 107.19 4.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.531 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -135.91 -177.38 4.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.4 p -124.28 156.46 36.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -82.43 63.49 6.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.0 m -173.66 133.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -76.54 -178.45 4.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.471 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 74.4 t80 59.17 31.67 21.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -139.16 156.78 46.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 23.4 m95 -87.8 130.52 34.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.531 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.7 m0 -113.34 171.98 7.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -115.57 113.28 23.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -127.38 179.68 16.28 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.495 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.663 ' HD2' HD13 ' A' ' 45' ' ' ILE . 10.5 mtpp -129.16 139.89 51.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 55.6 tp -141.38 128.85 21.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 46.44 35.2 2.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.92 -28.39 8.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -67.54 163.82 20.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.44 HG23 ' HG3' ' A' ' 58' ' ' LYS . 4.7 m -148.34 142.86 26.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.26 -171.08 41.97 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.529 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.8 pt -107.77 147.45 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 111.121 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.436 ' CE1' HG21 ' A' ' 42' ' ' ILE . 47.1 p90 -158.12 151.73 19.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.654 0.74 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 123.85 10.48 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.656 2.238 . . . . 0.0 112.307 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.415 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . . . -56.87 -30.79 64.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -59.99 -17.33 37.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -89.78 0.34 57.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 19.2 m -136.01 170.21 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.618 ' CG2' HD21 ' A' ' 23' ' ' LEU . 14.7 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.72 0.217 . . . . 0.0 112.38 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.6 mt -111.89 151.56 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -113.98 125.79 54.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.1 m -132.13 150.76 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 m -101.82 127.9 48.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.69 113.81 5.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.78 -29.8 67.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -142.17 160.49 40.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.8 m -74.86 154.65 38.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.844 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 78.3 t80 -152.58 156.83 40.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -142.54 107.92 5.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.431 -179.937 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.82 -179.04 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.816 0.341 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 tp -121.69 139.32 53.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -106.28 121.54 44.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 31.2 p90 -135.35 177.83 7.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -133.81 151.44 51.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.3 104.03 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.43 -35.42 3.61 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.451 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.73 126.96 23.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.784 0.326 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 41' ' ' ARG . 2.0 mpp_? -81.0 123.52 28.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.624 HG21 ' CE1' ' A' ' 66' ' ' PHE . 18.6 mt -106.83 123.69 62.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.3 m -80.49 98.55 7.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 47' ' ' LYS . 59.9 t -66.33 117.11 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.43 HD13 ' HD2' ' A' ' 58' ' ' LYS . 3.6 pt -103.92 -37.0 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -138.46 105.23 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.821 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.53 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 22.1 pttt -133.53 169.62 16.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.5 p -114.26 175.93 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.42 -45.45 87.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.7 p -70.19 149.31 47.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.448 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 32.8 m80 -91.45 -56.4 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 51' ' ' HIS . 14.8 t80 -36.58 -43.0 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.35 162.13 2.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.479 ' CE3' HD12 ' A' ' 65' ' ' ILE . 11.5 m95 -88.22 136.64 32.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.53 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.5 m0 -110.1 171.12 7.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -121.86 119.31 31.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -130.62 -171.94 13.02 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.43 ' HD2' HD13 ' A' ' 45' ' ' ILE . 22.3 mtpt -129.78 139.6 51.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.0 tp -145.45 129.06 17.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 47.0 54.1 9.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 57.91 43.65 94.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -137.21 166.56 23.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.924 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.1 m -142.21 138.28 31.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.28 175.45 47.14 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.479 HD12 ' CE3' ' A' ' 54' ' ' TRP . 6.7 pt -99.72 150.52 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.893 0.378 . . . . 0.0 111.103 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.624 ' CE1' HG21 ' A' ' 42' ' ' ILE . 50.7 p90 -159.91 152.54 17.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.644 0.735 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 121.55 8.24 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -60.09 -26.37 66.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -64.12 -11.1 26.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -95.78 -6.22 40.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.2 m -124.7 178.63 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.155 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.768 0.237 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.4 mt -124.11 153.23 30.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -110.36 123.74 50.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.1 m -129.65 143.35 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.0 m -97.19 120.53 37.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.89 109.65 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.614 HD21 ' HB ' ' A' ' 72' ' ' THR . 58.8 mt -65.27 -31.93 73.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -140.1 162.04 36.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.9 t -74.35 163.09 28.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.571 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 67.7 t80 -158.15 161.11 37.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 18.0 mt-10 -142.27 108.48 5.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -111.62 -177.49 3.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.836 0.35 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.4 tp -120.27 146.62 45.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.421 ' O ' HD23 ' A' ' 59' ' ' LEU . 3.4 m-80 -112.0 121.28 44.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 40.2 p90 -138.36 176.98 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -135.09 151.25 50.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.59 104.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.35 -34.95 3.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.15 131.12 50.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.61 127.96 33.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.808 HG21 ' CE2' ' A' ' 66' ' ' PHE . 18.0 mt -109.76 114.27 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.6 m -68.87 96.27 0.75 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.153 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.0 t -67.96 115.16 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.408 HD13 ' HD2' ' A' ' 58' ' ' LYS . 3.5 pt -102.52 -38.37 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.152 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -138.35 108.56 6.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.535 ' HE2' ' CZ2' ' A' ' 55' ' ' TRP . 4.8 ptmm? -129.92 167.9 17.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.5 p -113.55 173.62 6.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.18 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -83.57 42.87 0.86 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.7 m -153.87 130.58 10.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.585 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 73.2 m80 -72.19 -63.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -38.68 -40.09 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.22 164.55 6.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.429 ' CH2' ' HD3' ' A' ' 67' ' ' PRO . 11.1 m95 -93.74 141.99 27.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.535 ' CZ2' ' HE2' ' A' ' 47' ' ' LYS . 54.5 m0 -113.31 175.64 5.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -124.7 114.8 19.79 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.33 -174.37 13.72 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.541 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.408 ' HD2' HD13 ' A' ' 45' ' ' ILE . 26.6 mtpt -129.04 132.9 47.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.484 HD22 ' HB3' ' A' ' 36' ' ' PHE . 8.0 tp -142.38 144.07 32.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.898 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 43.68 45.93 6.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.97 36.47 92.27 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.459 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -133.31 172.98 11.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 110.941 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.7 m -142.88 143.1 31.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.31 179.62 48.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.8 pt -101.21 153.09 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.808 ' CE2' HG21 ' A' ' 42' ' ' ILE . 44.9 p90 -162.67 152.47 13.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.633 0.73 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.439 ' HG2' ' CD1' ' A' ' 70' ' ' TYR . 53.7 Cg_endo -69.76 121.66 8.35 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.697 2.265 . . . . 0.0 112.299 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -56.3 -29.71 61.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -61.08 -11.69 9.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.439 ' CD1' ' HG2' ' A' ' 67' ' ' PRO . 9.8 m-85 -97.36 6.81 47.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 68' ' ' ALA . 17.3 m -138.09 177.91 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.614 ' HB ' HD21 ' A' ' 23' ' ' LEU . 3.9 t . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HB2' HG22 ' A' ' 43' ' ' THR . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 120.813 0.256 . . . . 0.0 112.307 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 19' ' ' GLU . 7.4 mt -122.28 158.43 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.401 ' N ' HG22 ' A' ' 18' ' ' ILE . 23.6 mt-10 -109.84 122.21 47.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.4 m -129.72 146.99 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.096 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.443 ' O ' HG22 ' A' ' 72' ' ' THR . 89.8 m -102.18 126.94 49.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . -69.21 112.5 5.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.409 HD21 ' CG2' ' A' ' 72' ' ' THR . 85.1 mt -69.76 -25.09 63.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -143.84 160.88 40.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m -72.32 160.17 32.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 79.3 t80 -154.32 160.98 42.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.439 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 19.8 mt-10 -144.17 107.24 4.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -106.82 -175.14 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 110.812 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.6 tp -120.29 142.36 49.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -108.95 124.72 51.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.581 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 43.3 p90 -143.3 172.75 12.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -129.52 153.21 48.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.79 103.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 22' ' ' ALA . . . 124.46 -35.78 3.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.43 130.28 44.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.745 0.307 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.413 ' HD3' ' N ' ' A' ' 41' ' ' ARG . 1.6 mpp_? -83.54 130.36 35.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.529 HG21 ' CE1' ' A' ' 66' ' ' PHE . 18.5 mt -113.14 126.68 70.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.41 HG22 ' HB2' ' A' ' 17' ' ' PRO . 28.4 m -79.86 94.01 5.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.427 ' CG1' ' HB3' ' A' ' 47' ' ' LYS . 58.8 t -60.19 108.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.106 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.402 HG21 ' HD3' ' A' ' 58' ' ' LYS . 4.7 pt -94.55 -39.14 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 t -141.34 110.03 6.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.534 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 18.6 pttm -127.41 176.01 7.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 81.2 p -120.32 -179.77 4.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -85.96 17.95 3.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.9 m -128.07 135.1 49.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.51 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 11.2 m170 -77.16 -66.17 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -38.73 -38.64 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.23 166.6 2.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.495 ' CH2' ' HD3' ' A' ' 67' ' ' PRO . 11.3 m95 -96.92 134.84 39.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.534 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 53.0 m0 -109.22 172.72 6.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -118.63 119.38 34.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -131.34 177.08 18.78 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.586 ' HG3' HG23 ' A' ' 63' ' ' THR . 7.7 mtpp -122.31 134.97 54.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.34 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.49 ' CD1' ' HG2' ' A' ' 60' ' ' ARG . 6.0 tp -137.56 127.93 26.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.49 ' HG2' ' CD1' ' A' ' 59' ' ' LEU . 20.7 mmm180 44.23 38.28 2.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.63 -28.67 6.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 59' ' ' LEU . 3.1 mp0 -66.87 151.23 47.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.586 HG23 ' HG3' ' A' ' 58' ' ' LYS . 1.3 m -133.63 143.76 48.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 172.47 -179.62 43.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.506 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.1 pt -100.24 158.51 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 111.092 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.536 ' CE2' HG11 ' A' ' 71' ' ' VAL . 50.8 p90 -165.12 152.63 9.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.706 0.765 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.495 ' HD3' ' CH2' ' A' ' 54' ' ' TRP . 54.0 Cg_endo -69.78 122.05 8.73 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -54.34 -33.14 58.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.048 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.605 ' ND2' ' H ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -57.33 -16.18 8.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -94.83 12.08 29.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.536 HG11 ' CE2' ' A' ' 66' ' ' PHE . 16.0 m -145.89 170.55 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.443 HG22 ' O ' ' A' ' 21' ' ' THR . 6.7 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.789 0.246 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.7 mt -125.59 145.35 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -102.63 126.47 49.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.0 m -135.13 147.33 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -101.29 124.71 47.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.74 109.1 2.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.403 HD21 ' CG2' ' A' ' 72' ' ' THR . 27.4 mt -65.43 -31.28 72.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -137.26 160.45 38.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 t -74.16 165.1 25.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 55.8 t80 -164.17 135.01 4.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -122.88 99.37 6.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.91 -177.12 4.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.0 tp -120.86 145.43 47.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.462 ' O ' HD23 ' A' ' 59' ' ' LEU . 3.3 m-80 -109.98 120.0 41.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 47.0 p90 -143.13 168.6 19.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -127.06 156.13 42.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.44 104.3 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.84 -32.6 4.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.54 137.84 57.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.834 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.1 128.71 35.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.881 HG21 ' CE2' ' A' ' 66' ' ' PHE . 18.2 mt -112.87 122.13 66.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.6 m -77.1 103.52 7.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.409 ' CG1' ' HB3' ' A' ' 47' ' ' LYS . 61.7 t -68.06 106.54 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.135 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.457 HD13 ' HD2' ' A' ' 58' ' ' LYS . 5.3 pt -95.05 -37.94 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 t -139.77 107.37 5.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.509 ' HE3' ' CH2' ' A' ' 55' ' ' TRP . 3.7 ptmm? -136.06 169.4 17.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.4 p -117.35 178.19 4.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -65.95 -50.95 62.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.1 m -61.37 155.67 20.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 52' ' ' PHE . 7.7 p-80 -96.78 -62.21 1.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.436 ' C ' ' O ' ' A' ' 51' ' ' HIS . 14.6 m-85 -35.1 -39.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.54 166.91 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.491 ' CE3' HD12 ' A' ' 65' ' ' ILE . 11.8 m95 -95.75 139.09 32.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.588 ' CD2' ' HB2' ' A' ' 68' ' ' ALA . 54.9 m0 -113.62 171.49 7.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -122.38 117.08 25.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.69 179.76 16.41 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.52 ' HG3' HG23 ' A' ' 63' ' ' THR . 8.2 mtpp -125.22 137.79 54.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 35' ' ' ASN . 19.0 tp -138.1 128.41 26.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.3 mtp85 50.2 29.57 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.35 -24.8 27.44 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -69.65 166.42 19.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.938 0.399 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.52 HG23 ' HG3' ' A' ' 58' ' ' LYS . 2.6 m -145.69 140.95 27.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 179.1 178.82 48.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.527 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.491 HD12 ' CE3' ' A' ' 54' ' ' TRP . 7.6 pt -97.59 153.08 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.918 0.39 . . . . 0.0 111.098 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.881 ' CE2' HG21 ' A' ' 42' ' ' ILE . 31.3 p90 -163.74 152.53 11.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.631 0.729 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 121.49 8.17 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.588 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . . . -59.15 -20.08 50.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -68.95 -15.1 63.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -91.09 -4.69 56.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.9 m -127.27 -177.47 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.106 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.403 ' CG2' HD21 ' A' ' 23' ' ' LEU . 12.7 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.186 0 CA-C-O 120.754 0.231 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.2 mt -123.45 154.32 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -110.42 123.89 50.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.7 m -131.54 143.03 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.2 m -100.02 119.21 37.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.7 110.9 1.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.498 HD21 ' CG2' ' A' ' 72' ' ' THR . 72.8 mt -67.67 -33.22 74.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -138.37 160.1 40.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.7 t -70.44 166.33 20.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.55 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 67.4 t80 -159.58 157.38 29.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.883 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -139.03 105.54 5.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.411 ' H ' ' ND2' ' A' ' 35' ' ' ASN . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.435 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -107.19 -178.16 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.329 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.434 HD11 ' HB3' ' A' ' 59' ' ' LEU . 9.1 tp -120.63 141.58 50.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.6 ' O ' HD23 ' A' ' 59' ' ' LEU . 3.2 m-80 -109.06 126.87 53.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.556 ' HB3' HD22 ' A' ' 59' ' ' LEU . 36.3 p90 -142.68 179.6 6.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -135.93 156.55 48.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.9 104.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.78 -31.55 4.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.463 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.17 131.56 50.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.861 0.362 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -82.72 134.04 35.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.638 HG21 ' CE2' ' A' ' 66' ' ' PHE . 18.3 mt -116.91 116.72 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 87.1 m -72.34 100.05 2.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.565 HG11 ' HD3' ' A' ' 47' ' ' LYS . 68.2 t -64.52 113.11 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.6 pt -99.79 -38.79 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.19 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.7 t -141.51 106.33 4.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.565 ' HD3' HG11 ' A' ' 44' ' ' VAL . 25.0 pttt -136.26 167.95 20.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.1 p -114.62 -179.13 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.153 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -85.34 38.47 0.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.3 m -149.92 127.34 11.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.801 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 17.5 p-80 -74.84 -56.11 5.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.449 ' H ' ' CD2' ' A' ' 51' ' ' HIS . 22.5 t80 -38.81 -43.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -65.54 163.26 16.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.465 ' CE3' HD12 ' A' ' 65' ' ' ILE . 11.7 m95 -88.94 141.24 28.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.538 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.5 m0 -117.16 171.69 7.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.979 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -119.43 115.27 23.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.64 178.5 17.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.504 ' HG3' HG23 ' A' ' 63' ' ' THR . 16.9 mtpt -120.99 136.42 54.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.6 HD23 ' O ' ' A' ' 35' ' ' ASN . 15.9 tp -134.45 128.18 32.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.457 ' HD2' ' N ' ' A' ' 60' ' ' ARG . 0.5 OUTLIER 44.24 34.07 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.79 -31.36 7.3 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' LEU . 13.6 mm100 -66.67 165.0 15.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.939 0.4 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.504 HG23 ' HG3' ' A' ' 58' ' ' LYS . 2.2 m -144.81 145.44 31.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.7 -176.91 47.55 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.517 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.465 HD12 ' CE3' ' A' ' 54' ' ' TRP . 9.7 pt -100.93 153.83 4.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.873 0.368 . . . . 0.0 111.114 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.638 ' CE2' HG21 ' A' ' 42' ' ' ILE . 49.4 p90 -163.61 152.71 12.18 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.684 0.754 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.425 ' HG2' ' CD1' ' A' ' 70' ' ' TYR . 53.8 Cg_endo -69.79 122.38 9.05 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.246 . . . . 0.0 112.356 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.801 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -57.19 -25.84 59.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.074 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -64.61 -11.56 36.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.425 ' CD1' ' HG2' ' A' ' 67' ' ' PRO . 6.3 m-85 -95.87 3.86 53.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 68' ' ' ALA . 15.5 m -135.83 173.17 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.179 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.498 ' CG2' HD21 ' A' ' 23' ' ' LEU . 14.3 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.202 0 CA-C-O 120.769 0.237 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.462 HD12 ' HD3' ' A' ' 47' ' ' LYS . 5.2 mt -125.39 154.81 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -108.52 126.58 53.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.8 m -134.76 138.61 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.7 m -96.93 127.78 43.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . -68.43 105.1 2.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.081 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.9 mt -61.39 -33.18 73.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.421 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 9.7 m-85 -139.45 174.86 10.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.8 p -82.41 158.92 23.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.528 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 78.4 t80 -151.85 158.99 43.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.402 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 18.0 mt-10 -141.26 105.09 4.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -108.18 -176.63 3.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.374 . . . . 0.0 110.82 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.546 HD11 ' HB3' ' A' ' 59' ' ' LEU . 7.0 tp -121.69 138.99 54.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -105.26 124.55 49.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.528 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 45.5 p90 -138.55 176.14 8.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -131.85 154.51 49.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.421 ' HB2' ' HA ' ' A' ' 24' ' ' TYR . . . -51.35 104.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.075 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' ALA . . . 123.25 -34.96 3.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -58.82 132.09 52.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -83.22 135.32 34.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.486 HG21 ' CE1' ' A' ' 66' ' ' PHE . 18.8 mt -118.49 115.59 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.4 m -71.44 98.05 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 49.6 t -65.68 123.31 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.5 pt -109.68 -37.53 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 t -140.68 107.05 5.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.517 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 5.9 ptmm? -130.71 173.59 10.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.4 p -119.87 169.95 9.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -79.59 47.1 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.1 m -158.11 133.15 8.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.425 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 7.5 m-70 -75.97 -60.23 2.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -39.41 -42.06 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -62.57 165.52 6.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -96.97 137.73 35.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.517 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 53.9 m0 -111.05 171.43 7.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -120.28 114.11 21.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.06 -173.21 13.64 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -127.08 137.73 53.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.546 ' HB3' HD11 ' A' ' 34' ' ' LEU . 5.7 tp -140.99 127.75 20.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.492 ' HG2' ' CD1' ' A' ' 59' ' ' LEU . 21.3 mmm-85 44.41 45.78 7.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.12 -25.78 4.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.524 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -71.54 166.43 21.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.93 0.395 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.2 m -151.43 145.67 25.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.26 -172.78 45.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.3 pt -102.34 153.75 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.359 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.486 ' CE1' HG21 ' A' ' 42' ' ' ILE . 49.3 p90 -164.75 152.54 10.33 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.737 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 122.95 9.61 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.235 . . . . 0.0 112.293 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -59.32 -18.79 40.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.053 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -69.39 -13.49 62.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -95.08 -4.46 46.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.422 HG11 ' CE2' ' A' ' 66' ' ' PHE . 14.0 m -130.63 -178.06 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.2 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.477 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.738 0.224 . . . . 0.0 112.327 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 19' ' ' GLU . 9.6 mt -109.96 161.66 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.449 ' N ' HG22 ' A' ' 18' ' ' ILE . 25.4 mt-10 -116.63 123.14 46.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.8 m -129.59 145.55 35.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.4 m -99.49 121.93 41.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . -60.86 112.61 2.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.453 HD21 ' CG2' ' A' ' 72' ' ' THR . 85.4 mt -69.67 -35.52 75.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.946 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -138.93 166.35 24.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.1 p -73.47 159.21 33.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.839 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 75.6 t80 -155.77 158.77 38.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 8.3 mt-10 -143.35 107.03 4.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -108.62 -177.47 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.7 tp -120.63 147.91 44.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.487 ' O ' HD23 ' A' ' 59' ' ' LEU . 20.5 m-80 -110.18 122.85 48.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 53.9 p90 -142.0 172.21 12.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -129.43 159.99 34.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.9 104.39 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' ALA . . . 121.96 -28.51 5.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.52 127.56 31.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.831 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.1 mmm-85 -80.75 126.29 31.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.466 HG21 ' CE2' ' A' ' 66' ' ' PHE . 15.2 mt -110.67 122.81 65.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.45 HG22 ' HB2' ' A' ' 17' ' ' PRO . 23.0 m -79.33 97.23 6.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 17' ' ' PRO . 51.5 t -63.06 113.11 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.1 pt -97.04 -37.28 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 t -142.89 110.2 5.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.515 ' HB2' ' CG ' ' A' ' 55' ' ' TRP . 13.0 pttm -128.55 179.65 5.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.0 p -125.62 -179.12 4.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.162 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.61 -62.58 1.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.6 t -58.15 142.53 46.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.474 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 10.3 p80 -82.4 -56.82 3.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.427 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 25.2 m-85 -36.98 -41.53 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -55.65 165.1 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.556 ' CH2' ' HD3' ' A' ' 67' ' ' PRO . 11.5 m95 -92.51 139.39 30.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.515 ' CG ' ' HB2' ' A' ' 47' ' ' LYS . 54.6 m0 -111.24 170.93 7.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -118.99 112.29 19.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.14 -177.12 14.78 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -127.42 138.14 52.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.492 ' CD1' ' HG2' ' A' ' 60' ' ' ARG . 5.3 tp -142.29 128.07 19.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.914 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.492 ' HG2' ' CD1' ' A' ' 59' ' ' LEU . 16.3 mmm-85 44.32 54.23 6.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.84 42.67 99.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -133.14 167.28 20.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.7 m -146.77 137.3 23.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 179.24 173.92 44.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.501 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.6 pt -99.79 147.38 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 111.131 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.487 ' HA ' ' CE3' ' A' ' 54' ' ' TRP . 49.4 p90 -157.24 152.62 21.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.653 0.739 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.556 ' HD3' ' CH2' ' A' ' 54' ' ' TRP . 53.7 Cg_endo -69.82 121.5 8.17 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.628 2.219 . . . . 0.0 112.344 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -58.51 -20.46 46.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -68.72 -11.69 60.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -96.02 -2.52 46.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.5 m -130.36 176.35 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.162 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.453 ' CG2' HD21 ' A' ' 23' ' ' LEU . 9.0 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -50.98 135.86 23.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 110.84 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.6 p -115.81 158.46 22.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.22 -79.52 1.33 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -128.84 101.5 6.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.871 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -147.43 156.43 42.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.67 179.24 48.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -129.56 40.05 3.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.741 0.305 . . . . 0.0 110.83 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -91.22 89.6 7.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.1 ttp85 -152.71 158.71 42.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.27 133.41 31.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.91 120.28 2.66 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -99.85 122.2 42.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.463 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -125.14 87.27 2.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -71.45 -28.44 63.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -158.93 144.6 12.1 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.59 0.71 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -178.51 2.38 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.439 HD12 ' HD3' ' A' ' 47' ' ' LYS . 3.2 mt -118.11 153.49 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -109.68 122.9 48.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.4 m -128.5 147.45 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.2 m -104.0 116.97 33.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.91 112.05 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.645 HD21 ' HB ' ' A' ' 72' ' ' THR . 40.8 mt -70.09 -30.43 67.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -142.41 157.97 44.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.9 m -72.77 154.58 40.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.914 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 81.5 t80 -149.44 148.55 29.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -129.18 102.32 6.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.01 109.92 1.92 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -63.42 -30.67 71.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.76 0.314 . . . . 0.0 110.893 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -103.75 159.27 29.83 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.636 0.732 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -19.08 36.76 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.694 2.263 . . . . 0.0 112.385 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.35 -14.48 68.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -78.87 -175.28 4.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.831 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.1 tp -120.31 153.18 36.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.471 ' O ' HD23 ' A' ' 59' ' ' LEU . 21.5 m120 -118.02 117.63 29.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 42.9 p90 -141.3 176.13 9.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -138.45 152.2 48.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.09 105.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.07 -35.97 3.22 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.48 127.46 32.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.9 mmm-85 -81.65 129.11 34.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.516 HG21 ' CE1' ' A' ' 66' ' ' PHE . 14.9 mt -111.0 128.74 67.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.9 m -82.19 101.9 10.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.4 t -67.62 106.94 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.7 pt -94.87 -38.16 8.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 t -143.24 105.33 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.538 ' HE3' ' CZ2' ' A' ' 55' ' ' TRP . 11.0 ptmt -130.59 170.01 14.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 60.8 p -112.96 175.94 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -89.4 44.36 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.2 m -146.57 132.14 18.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 53.0 m80 -80.43 -27.73 37.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -89.51 46.84 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -149.98 165.19 33.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -91.59 133.3 35.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.538 ' CZ2' ' HE3' ' A' ' 47' ' ' LYS . 51.3 m0 -110.39 174.11 6.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 56.0 tt0 -120.18 112.05 18.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -124.68 -176.17 14.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -130.08 133.97 47.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.322 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 35' ' ' ASN . 10.8 tp -143.39 145.34 32.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 41.56 45.11 2.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.42 37.29 94.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -132.45 175.72 9.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.919 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.7 m -147.44 140.75 25.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.09 177.05 48.31 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.2 pt -99.76 148.6 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.88 0.371 . . . . 0.0 111.12 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.516 ' CE1' HG21 ' A' ' 42' ' ' ILE . 50.1 p90 -159.35 152.41 18.37 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.673 0.749 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.42 ' HG2' ' CD1' ' A' ' 70' ' ' TYR . 54.1 Cg_endo -69.73 122.97 9.65 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.527 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . . . -58.54 -25.63 62.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.074 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -64.38 -11.41 32.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.42 ' CD1' ' HG2' ' A' ' 67' ' ' PRO . 6.2 m-85 -96.97 2.05 51.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.9 m -133.37 -179.46 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.645 ' HB ' HD21 ' A' ' 23' ' ' LEU . 9.2 t -151.09 152.3 33.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 7.9 mtt -87.09 114.35 23.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -111.16 117.84 34.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.5 p -133.9 156.53 47.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.83 -158.29 1.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 121.97 8.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.8 p -83.85 -31.43 25.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.5 t -98.89 -43.02 6.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.826 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m -85.99 158.09 19.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 0.0 110.839 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.5 t -166.96 139.11 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.17 76.82 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.1 p -98.8 94.55 6.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.8 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.8 p -154.84 167.14 31.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.99 65.71 0.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.487 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -134.83 81.63 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.734 0.302 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -54.8 100.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -63.85 148.57 49.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.8 t -61.32 -44.96 99.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.92 -166.36 15.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -91.11 138.19 31.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.473 HD11 ' C ' ' A' ' 16' ' ' GLN . 1.0 OUTLIER -127.98 101.19 6.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.401 ' ND2' ' H ' ' A' ' 15' ' ' ASN . 0.8 OUTLIER -77.75 -38.89 45.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.473 ' C ' HD11 ' A' ' 14' ' ' LEU . 16.0 pt20 -148.62 147.01 23.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.553 0.692 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -175.09 1.04 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.707 2.271 . . . . 0.0 112.343 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.6 mt -121.28 147.66 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -100.75 123.18 44.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.0 m -128.34 139.87 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.5 m -97.74 121.33 39.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.98 111.96 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.128 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.683 HD21 ' CG2' ' A' ' 72' ' ' THR . 39.3 mt -67.42 -32.4 73.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.438 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 20.9 m-85 -142.28 168.41 19.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.982 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 80.7 p -77.2 150.91 35.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 79.7 t80 -150.83 154.9 38.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -142.64 109.36 5.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.98 102.65 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -76.58 -26.23 54.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.72 0.295 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -102.53 155.53 36.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.555 0.693 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 109.91 2.43 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.729 2.286 . . . . 0.0 112.347 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.39 -24.26 6.24 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.509 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.88 179.84 0.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.857 0.36 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 tp -120.07 143.41 48.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -108.26 127.71 54.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 41.5 p90 -141.66 179.37 6.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 -133.86 154.76 50.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.438 ' HB2' ' HA ' ' A' ' 24' ' ' TYR . . . -52.67 103.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.113 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.32 -29.81 5.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.53 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.32 127.89 33.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 0.0 110.832 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -81.27 130.73 35.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.7 mt -111.9 131.04 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.2 m -83.02 96.71 8.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.427 HG11 ' HD2' ' A' ' 47' ' ' LYS . 61.1 t -64.55 110.99 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.136 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.414 HD13 ' HD2' ' A' ' 58' ' ' LYS . 5.2 pt -97.35 -38.0 7.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.3 t -142.82 114.2 7.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HD2' HG11 ' A' ' 44' ' ' VAL . 17.8 ptmt -130.45 164.92 23.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.8 p -110.16 176.83 4.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -88.09 60.34 5.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.5 t -169.86 142.49 2.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.64 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 17.4 m170 -75.91 -64.18 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -43.52 -52.97 5.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -42.92 155.8 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.45 ' CE3' HD12 ' A' ' 65' ' ' ILE . 10.9 m0 -91.39 141.85 28.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.427 ' CZ2' ' HE3' ' A' ' 47' ' ' LYS . 50.8 m0 -112.76 173.42 6.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -122.06 115.78 23.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -127.71 -178.22 15.23 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.414 ' HD2' HD13 ' A' ' 45' ' ' ILE . 7.2 mtpp -127.19 132.46 50.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.416 HD22 ' HB3' ' A' ' 36' ' ' PHE . 7.8 tp -143.06 144.28 32.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 43.34 46.41 5.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.41 42.23 97.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.5 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -138.04 168.68 19.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.379 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.7 m -138.36 137.99 37.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.179 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -178.89 172.38 44.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.45 HD12 ' CE3' ' A' ' 54' ' ' TRP . 5.8 pt -97.2 155.87 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 111.184 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -164.31 152.28 10.78 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.665 0.745 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 122.99 9.64 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.614 2.209 . . . . 0.0 112.353 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -59.7 -16.13 24.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -72.11 -13.37 61.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -94.82 -4.73 46.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.6 m -130.08 177.31 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.683 ' CG2' HD21 ' A' ' 23' ' ' LEU . 13.5 t -151.06 163.87 37.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 43.4 mtm -113.37 101.71 9.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -134.22 43.75 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 79.6 p -111.27 175.1 5.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -125.19 163.04 19.33 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 86.75 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.389 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 77.7 p -115.62 171.2 7.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.5 m -87.35 99.52 12.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.828 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p -167.37 128.31 1.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.867 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -172.44 171.45 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.82 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.27 164.54 10.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.509 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -55.59 166.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.908 0.385 . . . . 0.0 110.811 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 t -79.16 -60.14 2.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.849 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.59 44.05 53.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.522 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -104.72 98.99 8.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.745 0.307 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -167.25 120.98 0.98 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -129.67 143.05 50.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.1 m -69.52 -30.75 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.104 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.3 167.84 18.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -103.92 127.34 51.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.42 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.6 tm? -107.69 90.36 3.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -69.43 -32.12 70.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.408 ' N ' HD13 ' A' ' 14' ' ' LEU . 17.4 pt20 -157.55 149.26 17.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.52 0.676 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -179.41 2.89 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.702 2.268 . . . . 0.0 112.339 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.4 mt -121.12 144.59 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -101.16 124.02 46.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.8 m -128.92 144.24 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.2 m -99.98 118.27 36.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.61 118.89 7.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.421 HD21 ' HB ' ' A' ' 72' ' ' THR . 73.2 mt -72.73 -35.47 67.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -136.81 157.46 46.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.1 t -70.22 162.15 28.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 61.5 t80 -160.26 157.56 28.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.4 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 11.4 mt-10 -140.67 106.98 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.2 102.54 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.544 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -64.54 -32.66 74.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 0.0 110.89 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -94.02 155.79 39.81 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.598 0.713 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 2.89 3.15 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -122.95 16.91 8.18 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -105.11 -178.19 3.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.786 0.326 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.4 tp -120.36 143.97 48.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -110.79 124.55 52.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.576 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 35.2 p90 -140.62 -179.87 6.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -132.71 165.74 23.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.96 104.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.82 -1.77 25.91 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.28 126.61 32.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.818 0.342 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -76.4 124.85 28.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.68 HG21 ' CE2' ' A' ' 66' ' ' PHE . 18.9 mt -111.96 116.41 52.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.8 m -70.92 94.31 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.05 109.97 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.3 pt -94.82 -39.56 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.3 t -140.54 113.25 8.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.524 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 26.7 pttt -137.73 167.56 21.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.1 p -114.79 177.31 4.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.181 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -83.75 39.85 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.3 p -150.52 124.07 9.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.706 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 7.3 p80 -70.89 -59.02 3.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -39.98 -37.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.98 161.39 26.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -87.47 138.15 31.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.524 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.4 m0 -112.45 170.15 8.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -118.14 116.52 27.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.05 -176.39 14.43 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.542 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -130.58 132.54 45.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.2 tp -144.03 144.16 31.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 44.98 42.85 6.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.49 37.37 94.58 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -133.01 171.59 13.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 m -141.78 139.92 32.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.68 173.34 45.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.9 pt -97.0 151.33 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.68 ' CE2' HG21 ' A' ' 42' ' ' ILE . 46.0 p90 -160.36 152.39 16.89 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.629 0.728 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 122.22 8.9 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.25 . . . . 0.0 112.319 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -57.49 -30.28 64.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -58.69 -14.23 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -96.84 11.09 37.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 68' ' ' ALA . 7.9 m -143.48 172.22 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.119 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.421 ' HB ' HD21 ' A' ' 23' ' ' LEU . 13.3 t -140.33 155.71 46.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 65.6 mtm -99.37 37.49 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -133.29 142.59 48.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.0 p -123.06 162.79 21.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.66 163.06 9.66 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 86.08 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.703 2.269 . . . . 0.0 112.342 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.8 p -82.06 165.22 20.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.1 m -106.65 -52.88 2.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 70.62 41.94 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.7 p -76.83 148.56 36.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.45 -168.25 1.54 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.462 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -161.78 105.83 1.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.915 0.388 . . . . 0.0 110.809 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -127.59 157.12 41.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.1 82.93 0.32 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -86.79 140.64 29.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.759 0.314 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -75.23 134.15 41.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -131.65 164.11 26.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 p -46.1 126.04 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.75 -153.85 27.56 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -156.17 138.38 14.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 14' ' ' LEU . 11.6 tp -124.69 35.84 4.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -41.12 -35.82 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -128.24 149.23 70.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.604 0.716 . . . . 0.0 110.85 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 167.44 24.43 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.365 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.8 mt -118.59 149.94 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -104.57 122.13 44.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.5 m -124.96 148.94 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.3 m -104.44 112.79 25.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.31 112.55 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.468 HD21 ' HB ' ' A' ' 72' ' ' THR . 57.3 mt -71.31 -31.23 67.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -143.0 160.35 40.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.7 p -71.75 161.41 31.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 62.0 t80 -161.18 153.04 19.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -138.15 106.73 5.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.3 102.0 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -76.75 -23.52 53.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.714 0.293 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -107.93 157.6 35.66 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.611 0.719 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 117.86 5.33 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.711 2.274 . . . . 0.0 112.37 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 117.87 -25.53 8.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.452 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.2 -176.95 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.843 0.354 . . . . 0.0 110.826 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.401 ' HG ' ' N ' ' A' ' 35' ' ' ASN . 23.3 tp -122.03 153.85 38.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.599 ' O ' HD23 ' A' ' 59' ' ' LEU . 25.0 m120 -114.62 121.61 43.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 45.0 p90 -142.85 175.91 9.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -136.7 157.58 46.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.02 104.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.46 -32.2 4.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.46 131.86 51.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.412 ' HD3' ' N ' ' A' ' 41' ' ' ARG . 1.8 mpp_? -85.32 121.09 27.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.631 HG21 ' CE1' ' A' ' 66' ' ' PHE . 17.5 mt -103.71 120.29 53.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.6 m -76.79 97.55 4.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.168 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.29 111.69 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.9 pt -98.0 -38.72 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 t -142.51 113.27 7.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.507 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 18.2 pttm -130.02 175.15 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 79.5 p -118.22 -179.59 3.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -87.06 44.08 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.6 m -162.27 135.22 5.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.634 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 2.1 p80 -78.47 -50.73 11.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -44.64 -39.79 5.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -66.83 166.31 13.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.468 ' CE3' HD12 ' A' ' 65' ' ' ILE . 11.6 m95 -92.43 139.06 30.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.507 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.5 m0 -111.52 170.37 8.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.956 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -115.43 113.15 23.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.47 -175.08 14.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.9 mtpt -132.86 134.51 44.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.321 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 35' ' ' ASN . 16.9 tp -143.51 146.83 33.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 40.69 46.65 2.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.73 39.25 96.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.519 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -135.68 174.38 10.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.4 m -144.32 141.47 29.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 179.43 170.41 41.18 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.468 HD12 ' CE3' ' A' ' 54' ' ' TRP . 7.9 pt -92.61 153.25 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.807 0.337 . . . . 0.0 111.175 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.631 ' CE1' HG21 ' A' ' 42' ' ' ILE . 51.1 p90 -163.74 152.41 11.73 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.659 0.742 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.408 ' HD3' ' CH2' ' A' ' 54' ' ' TRP . 53.7 Cg_endo -69.76 121.58 8.27 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.636 2.224 . . . . 0.0 112.367 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -58.98 -24.76 63.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.089 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -64.36 -12.23 40.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -98.13 5.53 48.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.6 m -137.47 172.82 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.468 ' HB ' HD21 ' A' ' 23' ' ' LEU . 13.4 t -139.52 130.67 26.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 62.5 mtm -84.22 82.43 8.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -86.9 108.08 18.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.7 m -95.99 99.05 10.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.96 149.06 16.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -176.34 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.704 2.27 . . . . 0.0 112.388 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.5 t -113.43 128.09 56.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.3 t -103.54 103.08 12.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.516 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 t -99.3 148.25 24.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.841 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -94.02 119.32 32.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.07 113.29 0.96 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -48.23 150.59 1.2 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.359 . . . . 0.0 110.883 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 t -133.32 139.17 46.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.0 103.67 1.26 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.498 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -76.94 124.1 27.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.689 0.281 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -115.26 92.89 4.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -84.13 148.22 26.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.652 ' O ' HG13 ' A' ' 11' ' ' VAL . 11.0 p -171.7 105.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.8 -163.95 23.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.479 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -172.71 128.8 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.907 0.384 . . . . 0.0 110.889 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -115.95 84.54 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.45 ' ND2' ' H ' ' A' ' 15' ' ' ASN . 0.4 OUTLIER -46.07 -31.26 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -157.74 145.5 13.83 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.625 0.726 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 168.61 21.05 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 2.259 . . . . 0.0 112.326 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mt -115.2 147.54 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -110.39 124.57 51.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.8 m -127.1 153.02 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.4 m -108.09 112.01 24.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.92 114.98 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.412 HD21 ' HB ' ' A' ' 72' ' ' THR . 94.2 mt -70.07 -35.32 74.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -138.55 176.5 8.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.9 p -80.32 163.08 24.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.498 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 12.2 t80 -158.91 140.54 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -130.76 101.43 5.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.45 ' H ' ' ND2' ' A' ' 35' ' ' ASN . . . -59.23 110.77 2.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.458 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -60.89 -30.89 70.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.686 0.279 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 30' ' ' GLN . 6.1 mm-40 -106.28 161.0 24.21 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.605 0.717 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -20.52 34.85 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.233 . . . . 0.0 112.385 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.68 -18.34 70.79 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.444 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.0 179.4 7.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.415 ' O ' ' CE1' ' A' ' 26' ' ' PHE . 10.5 tp -121.0 141.38 50.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.45 ' ND2' ' H ' ' A' ' 28' ' ' GLY . 2.7 m-80 -108.72 121.41 44.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.498 ' CZ ' ' CB ' ' A' ' 26' ' ' PHE . 42.6 p90 -137.55 174.25 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -129.44 157.55 41.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.52 101.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.32 -34.2 3.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.49 130.07 43.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.762 0.315 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -80.87 132.86 35.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.416 HG21 ' CE1' ' A' ' 66' ' ' PHE . 16.7 mt -115.99 119.66 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 93.1 m -74.81 102.24 4.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.496 HG11 ' HG2' ' A' ' 47' ' ' LYS . 59.1 t -68.62 125.23 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 pt -112.23 -37.04 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.4 t -141.67 106.57 4.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.536 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -139.27 169.37 17.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.1 p -113.07 177.82 4.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -89.54 47.26 1.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -149.2 123.22 9.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -72.16 -26.83 62.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -88.75 48.95 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -153.19 157.62 40.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.477 ' CE3' HD12 ' A' ' 65' ' ' ILE . 15.7 m95 -84.17 129.18 34.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.536 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.1 m0 -109.53 176.32 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -122.41 115.44 22.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.24 177.7 17.79 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.6 ' HG3' HG23 ' A' ' 63' ' ' THR . 27.9 mtpt -123.11 141.09 52.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 35.3 tp -142.96 129.31 19.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.5 mtt-85 47.84 32.41 2.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.82 -27.25 11.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -71.72 161.03 31.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.6 HG23 ' HG3' ' A' ' 58' ' ' LYS . 1.8 m -140.36 150.03 43.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 173.39 -179.32 44.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.477 HD12 ' CE3' ' A' ' 54' ' ' TRP . 6.0 pt -100.49 154.79 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.515 ' CE2' HG11 ' A' ' 71' ' ' VAL . 48.5 p90 -165.09 152.37 9.71 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.688 0.756 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 121.5 8.18 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.314 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.446 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . . . -57.36 -19.03 20.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -68.64 -14.29 62.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -95.71 6.02 49.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.515 HG11 ' CE2' ' A' ' 66' ' ' PHE . 3.7 m -139.08 176.95 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.174 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.412 ' HB ' HD21 ' A' ' 23' ' ' LEU . 9.7 t -141.63 140.1 33.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 29.3 mtm -86.82 118.4 26.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -126.33 116.56 21.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.6 m -124.91 39.16 4.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 122.8 146.04 7.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -179.44 2.88 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.731 2.287 . . . . 0.0 112.358 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.4 t -119.32 143.97 47.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.0 m -38.66 -45.88 1.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.5 m -123.17 141.06 52.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 m -90.45 135.74 33.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.04 -126.17 2.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.455 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.9 p -90.38 131.28 36.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -59.46 -60.71 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.35 -96.76 0.73 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -49.12 172.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.767 0.318 . . . . 0.0 110.826 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -91.63 150.67 21.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -104.32 169.15 8.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.5 p -38.89 151.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -145.29 -52.5 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.522 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.08 -175.05 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.494 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 0.3 OUTLIER 75.04 38.28 0.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -42.4 -25.66 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -160.52 146.8 11.66 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -174.16 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.365 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 mt -127.11 158.22 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -113.81 122.8 48.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.7 m -127.74 149.69 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.3 m -105.24 117.91 35.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.02 112.75 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.638 HD21 ' CG2' ' A' ' 72' ' ' THR . 83.4 mt -67.19 -33.99 76.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -139.93 170.78 15.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.1 p -74.68 167.02 22.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 52.8 t80 -161.94 153.17 18.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -140.64 107.59 5.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.8 102.68 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -62.01 -34.0 75.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.724 0.297 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -99.28 160.06 28.51 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.7 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -0.07 6.39 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 0.0 112.353 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -118.98 24.61 8.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.538 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.84 -175.35 2.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.823 0.344 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.0 tp -119.92 154.78 33.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.476 ' O ' HD23 ' A' ' 59' ' ' LEU . 23.2 m120 -118.5 117.67 29.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 47.8 p90 -139.95 175.88 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -134.32 160.83 36.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.34 103.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.42 -32.49 4.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.5 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.74 130.02 44.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.61 130.58 35.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.409 HG21 ' CE1' ' A' ' 66' ' ' PHE . 19.7 mt -113.59 123.61 69.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.2 m -74.31 102.72 4.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.5 t -69.94 110.22 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.471 HD11 ' HG2' ' A' ' 56' ' ' GLU . 3.3 pt -97.78 -39.2 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -135.85 116.5 13.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.522 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 11.3 ptmt -149.04 -175.38 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.08 154.53 38.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.4 -39.89 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.881 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.0 p -72.49 119.81 17.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.474 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 9.0 p-80 -79.88 -40.35 28.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -44.37 -44.25 8.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.27 172.2 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.573 ' CE3' HD12 ' A' ' 65' ' ' ILE . 10.4 m95 -95.97 136.17 36.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.522 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.9 m0 -109.65 169.06 8.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.471 ' HG2' HD11 ' A' ' 45' ' ' ILE . 41.5 tt0 -121.25 120.14 34.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -126.28 179.49 16.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.468 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.404 ' HD2' HD13 ' A' ' 45' ' ' ILE . 8.3 mtpp -129.24 133.67 47.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 35' ' ' ASN . 7.0 tp -145.56 142.83 29.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.966 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 47.52 41.68 13.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.06 39.06 97.57 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -134.98 167.65 20.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.923 0.392 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -137.36 138.46 39.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -173.82 171.9 44.86 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.435 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.573 HD12 ' CE3' ' A' ' 54' ' ' TRP . 6.7 pt -99.87 155.61 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.368 . . . . 0.0 111.095 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.409 ' CE1' HG21 ' A' ' 42' ' ' ILE . 50.9 p90 -167.42 152.57 6.95 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.624 0.726 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 121.61 8.3 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.355 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.517 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . . . -59.24 -17.14 25.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -69.22 -16.25 63.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -89.26 -10.76 45.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.2 m -120.84 172.91 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.638 ' CG2' HD21 ' A' ' 23' ' ' LEU . 8.8 t -136.38 156.4 48.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 12.9 mmm -102.69 45.57 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -89.27 99.03 12.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.3 m -59.85 172.29 0.77 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 54.29 -158.21 5.77 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 161.74 44.73 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.36 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.5 m -116.42 161.47 19.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.9 t -47.09 -54.31 10.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.857 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 m -78.99 130.18 35.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.895 0.379 . . . . 0.0 110.909 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -149.12 119.23 7.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.39 123.52 7.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -67.56 -62.16 1.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t 63.92 42.06 6.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.65 91.66 0.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -154.51 127.23 8.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.777 0.323 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -161.48 139.28 9.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -122.28 120.62 34.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 11' ' ' VAL . 14.3 p -65.36 124.98 21.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 58.05 -121.45 26.09 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -121.71 139.43 53.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.972 HD11 ' O ' ' A' ' 45' ' ' ILE . 1.8 tt -114.82 40.27 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 14' ' ' LEU . 5.0 m-20 -35.6 -39.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -163.56 152.04 11.68 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.596 0.712 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -176.19 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.638 2.225 . . . . 0.0 112.334 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.483 ' CD1' ' HE3' ' A' ' 47' ' ' LYS . 5.0 mt -127.58 151.12 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.07 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -108.12 124.75 50.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.9 m -131.09 154.05 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.196 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.3 m -108.4 120.48 42.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.538 ' HA ' HG12 ' A' ' 71' ' ' VAL . . . -62.08 105.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.504 HD21 ' CG2' ' A' ' 72' ' ' THR . 80.7 mt -62.02 -32.06 72.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -137.28 170.31 16.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.4 p -76.11 167.27 22.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.549 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 17.9 t80 -163.92 142.51 7.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -135.14 105.71 6.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.73 112.98 5.27 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -61.25 -30.27 70.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.708 0.289 . . . . 0.0 110.907 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -106.38 159.93 28.04 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.576 0.703 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -17.81 37.43 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.319 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.55 -17.5 66.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -81.09 -176.7 6.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.894 0.378 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.3 tp -121.35 143.49 49.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -111.47 120.75 43.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.549 ' CZ ' ' CB ' ' A' ' 26' ' ' PHE . 52.2 p90 -139.28 174.67 10.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -132.38 163.86 27.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.03 103.07 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.73 -33.9 3.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -55.8 132.71 50.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.771 0.32 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.03 130.82 34.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.841 HG21 ' CE2' ' A' ' 66' ' ' PHE . 19.2 mt -112.57 116.88 53.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.5 m -74.55 95.66 2.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.85 118.03 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.972 ' O ' HD11 ' A' ' 14' ' ' LEU . 3.6 pt -104.43 -38.07 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 t -146.55 110.96 5.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.508 ' HB2' ' CG ' ' A' ' 55' ' ' TRP . 12.3 pttp -126.76 -177.71 4.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.9 p -123.33 -179.22 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -89.05 43.22 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.4 m -159.2 135.07 8.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.46 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 52.7 m80 -74.54 -63.15 1.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -38.64 -40.54 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.78 166.52 2.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.841 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -95.67 136.86 35.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.565 ' CD2' ' HB2' ' A' ' 68' ' ' ALA . 54.8 m0 -111.34 172.43 6.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -118.77 113.34 20.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.56 -177.7 15.0 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -128.83 139.62 52.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.7 tp -141.56 129.47 21.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.5 mtp85 46.41 32.28 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.13 -28.56 10.4 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -69.13 156.92 37.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.8 m -138.78 143.82 39.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.57 -176.96 48.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.467 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.3 pt -99.15 156.49 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.372 . . . . 0.0 111.101 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.841 ' CE2' HG21 ' A' ' 42' ' ' ILE . 22.3 p90 -167.66 151.56 6.15 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.678 0.751 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 122.63 9.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.37 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.565 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . . . -64.04 -11.24 27.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.084 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -75.12 -15.29 60.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -89.5 -10.04 47.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.538 HG12 ' HA ' ' A' ' 22' ' ' ALA . 15.4 m -121.38 173.52 7.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.504 ' CG2' HD21 ' A' ' 23' ' ' LEU . 13.6 t -138.23 165.78 25.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.8 mtm -118.88 84.54 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -92.13 -51.3 5.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.3 m -82.63 111.85 18.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.58 -158.2 23.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -3.35 11.85 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.0 t -104.71 99.56 9.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.4 t -96.17 118.44 32.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t -142.48 119.12 11.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.37 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -71.49 139.94 49.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.43 170.34 42.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -149.43 146.84 27.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 110.854 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 t -150.07 115.44 5.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.58 158.78 31.34 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -105.69 -45.24 4.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.794 0.33 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -92.37 80.88 4.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -81.3 129.64 34.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 85.1 t -44.61 108.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 52.04 97.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.449 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -53.43 167.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -112.37 115.63 29.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -72.67 -31.24 64.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -170.29 144.01 2.03 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.564 0.697 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 177.52 5.52 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.627 2.218 . . . . 0.0 112.318 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.5 mt -118.79 157.58 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -113.34 123.07 49.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.6 m -130.26 146.26 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.0 m -101.81 117.29 34.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.86 105.24 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.8 mt -61.69 -31.09 71.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -139.95 160.99 38.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.7 t -73.67 162.94 28.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.82 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 66.4 t80 -159.22 164.39 35.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.51 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 36.3 mt-10 -150.87 112.13 4.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.63 115.87 5.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.482 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 27' ' ' GLU . 14.9 mp0 -88.36 -27.91 21.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.923 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -99.52 157.91 33.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.624 0.726 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 108.24 2.04 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.676 2.251 . . . . 0.0 112.331 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.39 -30.07 4.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -57.85 176.83 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.36 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.4 tp -121.54 141.66 50.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -105.94 127.66 53.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 31.8 p90 -141.29 -178.7 5.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -136.79 152.43 50.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.54 104.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.102 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.61 -33.7 4.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -58.22 132.91 54.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.755 0.312 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -82.98 123.62 29.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.91 HG21 ' CE2' ' A' ' 66' ' ' PHE . 19.3 mt -106.03 111.2 34.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.3 m -67.3 97.64 0.56 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.587 HG11 ' HG2' ' A' ' 47' ' ' LYS . 84.0 t -64.82 114.73 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.5 pt -102.72 -39.29 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.7 t -140.29 105.15 4.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.587 ' HG2' HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -131.79 166.6 21.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.88 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.5 p -116.59 174.09 6.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.09 44.7 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.9 m -142.73 116.3 9.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.685 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 27.6 p-80 -64.81 -38.55 91.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.816 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -68.49 -43.47 76.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -55.77 161.74 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.475 ' CE3' HD12 ' A' ' 65' ' ' ILE . 10.5 m0 -92.88 139.78 30.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.52 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 52.5 m0 -112.18 171.06 7.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -120.82 115.18 22.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.83 -175.94 14.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -127.3 138.04 52.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.868 0.366 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.9 tp -138.34 128.32 25.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 46.99 34.79 2.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.87 -28.73 8.87 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -67.55 162.96 22.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.858 0.361 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.0 m -143.5 144.5 32.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.01 -179.59 46.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.475 HD12 ' CE3' ' A' ' 54' ' ' TRP . 7.5 pt -97.82 158.0 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 111.105 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.91 ' CE2' HG21 ' A' ' 42' ' ' ILE . 41.1 p90 -166.17 152.61 8.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.641 0.734 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 121.49 8.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.353 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -56.43 -26.97 55.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.121 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -61.76 -13.51 24.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -97.41 12.56 32.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 68' ' ' ALA . 13.1 m -145.36 177.37 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.8 t -145.56 141.1 27.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.2 ttm -91.23 42.21 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -65.54 119.39 10.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.1 t -96.18 100.59 12.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.19 -158.14 27.19 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 97.08 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.664 2.243 . . . . 0.0 112.308 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.3 m -73.37 126.83 31.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 83.7 p -123.97 125.24 44.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t 68.65 42.51 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 0.0 110.826 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.7 m -104.75 127.48 52.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.91 -177.67 27.89 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.4 p -105.49 99.66 9.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.912 0.387 . . . . 0.0 110.873 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 p -68.32 -6.26 23.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.82 162.51 9.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -159.61 177.52 10.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.738 0.304 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -156.08 161.05 40.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -97.9 133.21 42.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.7 t -118.11 126.25 74.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.5 159.7 35.84 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.464 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -112.76 155.49 24.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.36 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.559 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.1 tm? -122.18 101.72 7.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -77.63 -40.93 40.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.502 ' C ' HD11 ' A' ' 14' ' ' LEU . 73.6 mt-30 -145.77 150.76 44.13 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.59 0.709 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 177.63 5.34 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.695 2.263 . . . . 0.0 112.368 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.424 HD12 ' HD3' ' A' ' 47' ' ' LYS . 3.9 mt -119.3 159.64 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.123 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -115.26 124.69 51.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.7 m -131.71 157.85 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.5 m -111.16 122.11 47.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.52 105.42 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.078 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.555 HD21 ' HB ' ' A' ' 72' ' ' THR . 54.8 mt -61.77 -33.45 74.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -139.38 155.9 47.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.4 m -69.2 158.56 34.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 79.6 t80 -151.44 162.31 41.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.464 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 40.7 mt-10 -143.06 105.4 4.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -48.67 101.65 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -65.4 -34.08 77.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.729 0.3 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.411 ' CD ' ' HD2' ' A' ' 31' ' ' PRO . 19.2 mm-40 -93.3 156.78 39.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.573 0.702 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.411 ' HD2' ' CD ' ' A' ' 30' ' ' GLN . 53.9 Cg_endo -69.76 2.57 3.41 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.249 . . . . 0.0 112.377 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -126.41 28.03 4.86 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -108.26 -174.99 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.9 tp -119.92 147.02 45.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.616 ' O ' HD23 ' A' ' 59' ' ' LEU . 26.2 m120 -108.04 118.08 35.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 55.2 p90 -141.2 161.83 36.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -123.17 161.37 24.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.93 104.29 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.57 -34.34 3.82 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.83 131.44 50.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.342 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -82.44 130.55 35.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.602 HG21 ' CE1' ' A' ' 66' ' ' PHE . 18.9 mt -111.18 118.89 58.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.5 m -71.87 98.74 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 47' ' ' LYS . 59.5 t -67.51 111.49 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.3 pt -96.94 -38.58 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 t -143.05 105.49 4.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.528 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 13.9 pttm -121.3 177.26 5.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.3 p -126.89 172.77 10.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -62.75 -59.98 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.8 m -57.02 143.82 36.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 52' ' ' PHE . 22.2 m-70 -83.75 -63.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 51' ' ' HIS . 30.6 m-85 -35.7 -39.98 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -54.51 161.16 1.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.435 ' CE3' HD12 ' A' ' 65' ' ' ILE . 11.8 m95 -91.34 139.87 30.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.648 ' CD2' ' HB2' ' A' ' 68' ' ' ALA . 54.8 m0 -112.11 174.37 5.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -120.87 112.44 18.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -124.56 -178.25 15.28 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -130.15 132.34 46.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.821 0.343 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 35' ' ' ASN . 21.7 tp -141.95 144.29 33.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 44.01 47.68 7.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.08 37.98 92.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -134.23 172.5 12.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.913 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 m -142.75 139.33 31.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -176.61 176.25 47.83 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.519 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.435 HD12 ' CE3' ' A' ' 54' ' ' TRP . 6.0 pt -98.72 155.6 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.886 0.374 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.602 ' CE1' HG21 ' A' ' 42' ' ' ILE . 50.5 p90 -168.07 152.09 6.03 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.628 0.728 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 121.48 8.17 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.355 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.648 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . . . -61.91 -11.26 12.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -71.69 -22.9 61.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -87.52 -5.4 58.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.506 HG11 ' CE2' ' A' ' 66' ' ' PHE . 3.5 m -123.65 170.21 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.159 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.555 ' HB ' HD21 ' A' ' 23' ' ' LEU . 8.7 t -129.9 154.34 47.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 13.9 tpp -116.75 96.99 5.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -134.19 105.18 6.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.1 m -111.82 102.36 10.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -174.09 154.71 20.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.442 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -15.63 37.21 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.683 2.256 . . . . 0.0 112.355 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 t -105.87 151.02 25.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.0 t -97.41 -58.89 1.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.485 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.5 p -149.04 160.39 43.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -151.08 123.76 8.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.69 -168.95 39.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.6 p -147.53 167.72 23.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 110.837 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.5 p -129.95 126.12 37.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.1 168.9 40.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.453 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -95.06 151.47 19.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.77 0.319 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -103.45 142.31 34.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 12' ' ' GLY . 7.8 ptm180 -117.32 84.59 2.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.554 ' O ' HG22 ' A' ' 11' ' ' VAL . 10.0 p 36.22 34.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 10' ' ' ARG . . . -127.57 88.27 0.33 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.479 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -80.54 127.05 32.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -111.66 89.82 3.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -69.32 -37.88 77.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -150.17 151.15 31.17 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.596 0.712 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -179.67 3.08 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mt -117.8 153.5 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.161 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -112.48 127.31 56.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.2 m -135.83 149.64 28.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.3 m -106.17 117.72 34.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.88 109.76 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.088 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.514 HD21 ' CG2' ' A' ' 72' ' ' THR . 83.0 mt -64.84 -33.69 76.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.401 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 17.7 m-85 -140.81 169.88 16.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 96.4 p -75.0 166.25 23.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 52.1 t80 -162.84 157.39 21.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -140.78 105.42 4.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -48.73 102.51 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -68.11 -35.29 77.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.788 0.328 . . . . 0.0 110.938 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -88.77 157.63 48.84 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.584 0.707 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 1.52 4.37 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.668 2.245 . . . . 0.0 112.365 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -127.52 24.67 5.21 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.493 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -101.04 -176.73 3.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.85 0.357 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.8 tp -120.08 148.99 42.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.458 ' O ' HD23 ' A' ' 59' ' ' LEU . 24.2 m120 -112.94 119.06 36.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 51.5 p90 -140.58 177.41 8.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -137.23 153.78 50.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.401 ' HB2' ' HA ' ' A' ' 24' ' ' TYR . . . -49.4 104.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.08 -31.81 4.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.84 127.19 30.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.7 mmt-85 -78.07 137.73 38.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.576 HG21 ' CE2' ' A' ' 66' ' ' PHE . 19.6 mt -118.66 118.6 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.5 m -74.25 94.52 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.07 117.4 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.425 HD13 ' HD2' ' A' ' 58' ' ' LYS . 3.6 pt -102.41 -38.43 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.9 t -141.38 107.05 5.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.538 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -135.37 162.36 32.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 58.7 p -108.26 172.26 6.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -61.03 -46.43 90.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.4 m -63.32 145.69 55.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.678 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 30.8 p-80 -90.88 -56.11 3.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -40.44 -42.92 1.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.37 159.33 4.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -85.55 143.12 28.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.538 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.8 m0 -116.13 171.29 7.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -118.55 113.57 21.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.86 -178.14 15.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.53 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.425 ' HD2' HD13 ' A' ' 45' ' ' ILE . 26.4 mtpt -128.32 138.28 52.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.858 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 35' ' ' ASN . 11.1 tp -143.69 128.39 18.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 49.19 32.37 4.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.82 -25.67 13.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.503 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -73.23 148.6 43.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.899 0.381 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.2 m -130.71 143.02 50.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.21 173.73 43.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.444 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.0 pt -92.32 156.75 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.392 . . . . 0.0 111.058 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.576 ' CE2' HG21 ' A' ' 42' ' ' ILE . 48.6 p90 -165.96 152.57 8.74 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.666 0.746 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 121.46 8.15 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -59.27 -23.91 62.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -64.32 -12.63 43.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -95.25 0.5 53.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.1 m -134.29 168.2 24.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.514 ' CG2' HD21 ' A' ' 23' ' ' LEU . 14.7 t -134.08 146.56 50.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -100.76 91.41 4.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -90.05 157.14 17.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 89.1 p -164.45 166.74 20.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.56 147.0 15.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.435 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 112.59 3.12 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.273 . . . . 0.0 112.362 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.6 m 38.04 42.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.4 t -78.05 109.4 12.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 t -69.21 170.5 10.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 110.87 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -63.93 124.8 22.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.24 129.6 8.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -92.84 102.99 15.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.875 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.0 m -136.19 111.45 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.05 -126.1 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.527 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.7 p-80 -113.64 82.41 1.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -90.43 89.43 7.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.7 mmt-85 -105.62 43.92 1.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.647 HG11 HG22 ' A' ' 48' ' ' THR . 28.3 m -70.53 -43.52 77.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.462 ' N ' HG23 ' A' ' 11' ' ' VAL . . . 112.96 132.87 5.76 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -76.92 138.6 39.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.369 . . . . 0.0 110.922 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.825 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -110.94 93.43 4.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 14' ' ' LEU . 2.5 m-80 -35.42 -50.18 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -110.38 144.07 29.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.567 0.699 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 176.02 7.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.36 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.8 mt -123.49 157.28 29.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -114.96 122.32 45.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.4 m -124.9 144.45 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.8 m -99.88 120.44 39.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.178 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . -62.63 111.91 2.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.477 HD21 ' CG2' ' A' ' 72' ' ' THR . 55.3 mt -70.18 -29.18 65.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.428 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 25.8 m-85 -142.91 156.9 44.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.4 m -71.92 152.47 42.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 79.3 t80 -147.42 162.17 39.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.46 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 29.8 mt-10 -144.55 107.69 4.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.5 ' H ' ' ND2' ' A' ' 35' ' ' ASN . . . -49.4 102.64 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -66.81 -30.47 70.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.72 0.295 . . . . 0.0 110.883 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.434 ' CD ' ' HD2' ' A' ' 31' ' ' PRO . 6.6 mm100 -95.75 158.19 34.76 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.616 0.722 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.434 ' HD2' ' CD ' ' A' ' 30' ' ' GLN . 53.5 Cg_endo -69.76 -2.63 10.5 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.737 2.291 . . . . 0.0 112.332 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -122.83 24.81 6.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -107.21 -177.19 3.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.4 tp -120.18 144.0 47.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.5 ' ND2' ' H ' ' A' ' 28' ' ' GLY . 2.2 m-80 -111.12 122.29 47.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.568 ' HB3' HD22 ' A' ' 59' ' ' LEU . 49.0 p90 -140.35 174.71 10.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -128.08 159.76 34.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.428 ' HB2' ' HA ' ' A' ' 24' ' ' TYR . . . -59.57 104.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 22' ' ' ALA . . . 125.13 -33.24 3.73 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.56 138.95 57.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 110.841 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.467 ' HD3' ' N ' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -89.7 127.28 35.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.471 HG21 ' CE2' ' A' ' 66' ' ' PHE . 15.5 mt -108.82 127.59 65.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.6 m -80.22 99.54 7.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.3 t -65.17 115.68 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.7 pt -104.64 -36.26 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.6 t -142.5 107.86 5.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.484 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 4.3 ptmm? -138.33 170.23 16.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.647 HG22 HG11 ' A' ' 11' ' ' VAL . 69.8 p -117.26 -179.4 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -70.16 -43.86 69.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 72.8 m -65.9 146.48 54.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.504 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 10.9 m170 -88.26 -62.43 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.416 ' C ' ' O ' ' A' ' 51' ' ' HIS . 6.7 t80 -36.5 -40.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -56.0 157.39 4.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.407 ' CE3' HD12 ' A' ' 65' ' ' ILE . 11.3 m95 -87.58 138.36 31.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.484 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.9 m0 -111.97 173.63 6.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -122.26 116.87 24.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.98 -178.62 15.46 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.479 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -125.7 132.57 52.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.568 HD22 ' HB3' ' A' ' 36' ' ' PHE . 15.6 tp -144.92 144.88 31.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 45.23 41.18 5.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.76 35.52 92.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -131.56 173.34 11.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 110.959 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.3 m -143.67 140.33 30.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.15 -176.52 46.98 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.407 HD12 ' CE3' ' A' ' 54' ' ' TRP . 7.7 pt -105.1 151.57 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.471 ' CE2' HG21 ' A' ' 42' ' ' ILE . 47.5 p90 -161.54 152.56 15.31 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.474 ' HG2' ' CD1' ' A' ' 70' ' ' TYR . 53.8 Cg_endo -69.76 123.01 9.68 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.667 2.245 . . . . 0.0 112.35 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -59.23 -21.2 59.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -65.33 -16.09 63.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.474 ' CD1' ' HG2' ' A' ' 67' ' ' PRO . 10.3 m-85 -91.71 -1.74 57.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.5 m -131.29 175.34 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.477 ' CG2' HD21 ' A' ' 23' ' ' LEU . 11.4 t -143.1 130.79 21.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.177 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 19.0 ttp -102.08 45.11 0.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.1 p-10 -99.46 151.39 21.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.0 m -140.64 151.1 44.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -172.19 -158.33 16.11 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 78' ' ' SER . 54.0 Cg_endo -69.71 132.23 22.97 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.34 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 77' ' ' PRO . 7.6 t -34.5 111.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.3 t -140.74 144.62 35.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -95.26 -56.21 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.887 0.375 . . . . 0.0 110.847 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.8 m -73.87 -47.69 36.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.64 96.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.462 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.8 m -70.97 -58.97 3.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.875 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 p -66.73 125.33 25.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.97 43.41 0.55 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.3 p80 -115.22 139.6 49.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.74 0.305 . . . . 0.0 110.836 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -105.75 80.28 1.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.4 ttm-85 -38.7 108.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.412 ' H ' HG12 ' A' ' 11' ' ' VAL . 1.7 p -63.71 119.41 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.79 46.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -83.78 104.39 13.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -91.81 151.79 20.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -116.3 -38.21 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -155.44 142.39 13.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 175.9 7.47 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.682 2.254 . . . . 0.0 112.374 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.53 HD12 ' HE3' ' A' ' 47' ' ' LYS . 6.7 mt -121.79 146.61 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.149 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -105.04 121.94 44.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.1 m -126.6 149.76 31.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -106.0 121.02 43.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.87 107.97 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 70' ' ' TYR . 61.4 mt -61.56 -30.62 70.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -143.81 166.21 25.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 97.9 p -76.12 157.69 32.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 73.7 t80 -156.45 153.14 28.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -138.96 107.02 5.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -45.8 101.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.475 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -74.4 -26.69 60.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.744 0.306 . . . . 0.0 110.923 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -103.81 156.97 34.87 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.624 0.726 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 118.76 5.88 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.321 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.34 -22.35 12.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.85 -175.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.405 ' HB2' ' CA ' ' A' ' 64' ' ' GLY . 16.0 tp -120.13 152.69 37.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.523 ' O ' HD23 ' A' ' 59' ' ' LEU . 20.0 m120 -116.52 120.43 38.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.54 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 42.3 p90 -142.36 174.11 10.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -130.78 157.86 41.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.71 104.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.47 -35.69 3.65 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.508 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -53.59 128.76 30.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -81.84 128.71 34.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.514 HG21 ' CE2' ' A' ' 66' ' ' PHE . 17.8 mt -110.77 127.6 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.0 m -80.7 99.13 8.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.47 115.14 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.168 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.2 pt -103.72 -38.05 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -145.13 115.83 7.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.53 ' HE3' HD12 ' A' ' 18' ' ' ILE . 12.4 pttp -137.22 178.3 7.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 74.7 p -121.51 171.61 8.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -78.65 47.84 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -163.33 139.71 7.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.501 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 30.6 p-80 -81.95 -54.37 5.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -41.87 -39.84 1.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.76 163.71 16.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 12.5 m95 -92.18 136.25 33.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.959 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.519 ' CG ' ' HB2' ' A' ' 47' ' ' LYS . 54.9 m0 -109.76 170.38 8.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -117.43 115.11 24.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -127.9 176.57 17.99 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.594 ' HG3' HG23 ' A' ' 63' ' ' THR . 21.1 mtpt -124.17 137.25 54.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.761 0.315 . . . . 0.0 110.947 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 35' ' ' ASN . 10.5 tp -141.83 128.7 20.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.437 ' HG2' ' CD1' ' A' ' 59' ' ' LEU . 45.3 mmm-85 45.96 43.58 10.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.64 -24.81 4.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.478 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -73.37 159.7 32.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.917 0.389 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.594 HG23 ' HG3' ' A' ' 58' ' ' LYS . 3.7 m -146.24 142.16 28.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.405 ' CA ' ' HB2' ' A' ' 34' ' ' LEU . . . 178.51 175.22 45.43 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.6 pt -90.83 152.98 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 0.0 111.154 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.514 ' CE2' HG21 ' A' ' 42' ' ' ILE . 49.3 p90 -163.56 152.55 12.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.627 0.727 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 122.66 9.36 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.254 . . . . 0.0 112.36 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -59.9 -18.75 47.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.096 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.643 ' ND2' ' H ' ' A' ' 69' ' ' ASN . 0.1 OUTLIER -70.3 -14.46 62.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.418 ' O ' ' N ' ' A' ' 23' ' ' LEU . 4.2 m-85 -91.3 -10.15 42.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 m -127.11 -178.18 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.0 t -150.53 136.85 18.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.45 ' O ' ' C ' ' A' ' 74' ' ' ASN . 1.9 ptt? -109.88 29.98 7.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 73' ' ' MET . 1.7 p30 -34.48 139.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 m -94.67 121.8 36.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.809 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 152.51 -157.41 27.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 156.06 64.4 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.8 p -84.57 164.49 18.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.9 t -87.68 144.95 26.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 p -157.39 174.9 14.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.846 0.355 . . . . 0.0 110.865 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.7 p -88.65 123.71 33.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.33 102.32 0.21 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.508 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -137.43 140.76 41.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 110.889 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 t -46.37 123.23 4.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.79 -173.95 33.98 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -130.59 166.58 20.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.319 . . . . 0.0 110.812 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -116.07 176.14 5.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.425 ' NH1' ' HB ' ' A' ' 48' ' ' THR . 25.2 mtt-85 -108.97 106.34 16.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.5 m -106.51 147.26 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.156 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.97 116.74 0.39 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -113.65 111.92 22.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.761 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -103.79 103.07 12.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 14' ' ' LEU . 5.3 m120 -34.71 -59.66 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -105.7 144.16 28.3 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.597 0.713 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.49 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 53.4 Cg_endo -69.85 -172.84 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.304 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 19' ' ' GLU . 5.4 mt -121.04 161.94 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.412 ' N ' HG22 ' A' ' 18' ' ' ILE . 33.7 mt-10 -116.16 122.39 44.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.634 HG12 ' HG2' ' A' ' 73' ' ' MET . 29.7 m -128.88 141.26 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.7 m -97.0 119.13 34.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 37' ' ' GLN . . . -61.93 108.54 1.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.618 HD21 ' CG2' ' A' ' 72' ' ' THR . 53.9 mt -65.44 -28.68 69.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -142.1 169.55 17.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.1 p -77.57 162.97 26.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.582 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 51.1 t80 -151.9 164.89 36.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.516 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 36.9 mt-10 -152.05 110.49 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.68 120.68 23.46 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.458 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.1 mp0 -83.11 -28.7 29.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.763 0.316 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -101.51 160.02 27.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.714 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 2.37 3.61 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.253 . . . . 0.0 112.332 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -124.5 26.1 5.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.53 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -106.21 -175.16 2.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.854 0.359 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.1 tp -122.13 153.7 38.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -119.4 118.88 32.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.582 ' CZ ' ' CB ' ' A' ' 26' ' ' PHE . 53.9 p90 -139.66 175.35 9.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.44 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 3.1 mm100 -133.0 164.26 27.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.31 103.67 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.95 -26.95 6.62 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.56 129.1 38.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.741 0.305 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.423 ' HD3' ' N ' ' A' ' 41' ' ' ARG . 1.5 mpp_? -80.47 127.71 32.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.436 HG21 ' CE1' ' A' ' 66' ' ' PHE . 15.4 mt -109.83 119.36 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.0 m -75.42 97.96 3.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 17' ' ' PRO . 41.9 t -66.44 120.13 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.663 HD13 ' HD2' ' A' ' 58' ' ' LYS . 2.4 pt -103.95 -36.66 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -144.28 107.19 4.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.531 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -135.91 -177.38 4.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.425 ' HB ' ' NH1' ' A' ' 10' ' ' ARG . 21.4 p -124.28 156.46 36.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -82.43 63.49 6.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.0 m -173.66 133.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -76.54 -178.45 4.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.471 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 74.4 t80 59.17 31.67 21.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -139.16 156.78 46.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 23.4 m95 -87.8 130.52 34.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.531 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.7 m0 -113.34 171.98 7.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -115.57 113.28 23.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -127.38 179.68 16.28 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.495 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.663 ' HD2' HD13 ' A' ' 45' ' ' ILE . 10.5 mtpp -129.16 139.89 51.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 55.6 tp -141.38 128.85 21.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 46.44 35.2 2.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.92 -28.39 8.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -67.54 163.82 20.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.44 HG23 ' HG3' ' A' ' 58' ' ' LYS . 4.7 m -148.34 142.86 26.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.26 -171.08 41.97 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.529 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.8 pt -107.77 147.45 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 111.121 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.436 ' CE1' HG21 ' A' ' 42' ' ' ILE . 47.1 p90 -158.12 151.73 19.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.654 0.74 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 123.85 10.48 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.656 2.238 . . . . 0.0 112.307 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.415 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . . . -56.87 -30.79 64.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -59.99 -17.33 37.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -89.78 0.34 57.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 19.2 m -136.01 170.21 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.618 ' CG2' HD21 ' A' ' 23' ' ' LEU . 14.7 t -134.27 170.19 16.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.634 ' HG2' HG12 ' A' ' 20' ' ' VAL . 33.1 mtt -130.67 44.1 3.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -59.91 106.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.9 m -92.9 173.33 7.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 77.35 146.29 2.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -8.38 23.46 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.643 2.228 . . . . 0.0 112.371 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.6 t -67.81 161.86 25.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.1 m -134.12 -50.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 p -163.68 122.47 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.343 . . . . 0.0 110.888 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -111.73 109.56 19.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.44 -156.49 22.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.439 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 t -148.23 165.32 31.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 0.0 110.839 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -83.54 80.84 8.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.94 -152.85 5.01 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -40.49 99.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.771 0.319 . . . . 0.0 110.834 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 10' ' ' ARG . 42.1 mm-40 -84.32 96.2 8.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 9' ' ' GLU . 3.9 ptm85 -35.03 122.61 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.839 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.5 m -39.08 137.41 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.12 84.57 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -72.49 143.42 48.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.932 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -119.08 79.7 1.44 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -61.29 -32.52 72.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -154.83 153.19 27.13 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.602 0.715 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 169.62 18.54 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.65 2.233 . . . . 0.0 112.38 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.48 HG21 ' CE ' ' A' ' 73' ' ' MET . 7.6 mt -111.89 151.56 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -113.98 125.79 54.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.1 m -132.13 150.76 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 m -101.82 127.9 48.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.69 113.81 5.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.78 -29.8 67.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -142.17 160.49 40.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.8 m -74.86 154.65 38.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.844 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 78.3 t80 -152.58 156.83 40.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -142.54 107.92 5.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.85 102.03 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.431 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -73.77 -29.15 62.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.727 0.299 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -100.41 157.33 33.98 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.578 0.704 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 112.44 3.08 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.639 2.226 . . . . 0.0 112.323 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 122.17 -27.77 6.02 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.458 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.82 -179.04 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.816 0.341 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 tp -121.69 139.32 53.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -106.28 121.54 44.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 31.2 p90 -135.35 177.83 7.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -133.81 151.44 51.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.3 104.03 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.43 -35.42 3.61 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.451 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.73 126.96 23.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.784 0.326 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 41' ' ' ARG . 2.0 mpp_? -81.0 123.52 28.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.624 HG21 ' CE1' ' A' ' 66' ' ' PHE . 18.6 mt -106.83 123.69 62.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.3 m -80.49 98.55 7.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 47' ' ' LYS . 59.9 t -66.33 117.11 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.43 HD13 ' HD2' ' A' ' 58' ' ' LYS . 3.6 pt -103.92 -37.0 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -138.46 105.23 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.821 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.53 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 22.1 pttt -133.53 169.62 16.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.5 p -114.26 175.93 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.42 -45.45 87.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.7 p -70.19 149.31 47.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.448 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 32.8 m80 -91.45 -56.4 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 51' ' ' HIS . 14.8 t80 -36.58 -43.0 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.35 162.13 2.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.479 ' CE3' HD12 ' A' ' 65' ' ' ILE . 11.5 m95 -88.22 136.64 32.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.53 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.5 m0 -110.1 171.12 7.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -121.86 119.31 31.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -130.62 -171.94 13.02 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.43 ' HD2' HD13 ' A' ' 45' ' ' ILE . 22.3 mtpt -129.78 139.6 51.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.0 tp -145.45 129.06 17.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 47.0 54.1 9.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 57.91 43.65 94.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -137.21 166.56 23.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.924 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.1 m -142.21 138.28 31.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.28 175.45 47.14 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.479 HD12 ' CE3' ' A' ' 54' ' ' TRP . 6.7 pt -99.72 150.52 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.893 0.378 . . . . 0.0 111.103 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.624 ' CE1' HG21 ' A' ' 42' ' ' ILE . 50.7 p90 -159.91 152.54 17.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.644 0.735 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 121.55 8.24 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -60.09 -26.37 66.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -64.12 -11.1 26.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -95.78 -6.22 40.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.2 m -124.7 178.63 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.8 t -145.57 161.42 39.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.48 ' CE ' HG21 ' A' ' 18' ' ' ILE . 1.1 tpt -106.68 50.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -114.72 126.73 55.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.3 p -83.17 78.06 9.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.44 146.24 40.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.534 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 140.04 41.84 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.356 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.6 m -50.32 154.87 1.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.2 t 59.69 42.92 16.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.3 m -99.73 135.67 40.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.914 0.388 . . . . 0.0 110.821 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 m -94.21 -53.48 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.874 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.84 171.67 17.09 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 6' ' ' SER . 16.3 p -133.55 -40.3 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.917 0.389 . . . . 0.0 110.845 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 5' ' ' SER . 18.3 m 36.68 42.42 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.98 107.23 1.09 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -148.57 152.75 37.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -70.27 116.86 11.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 10' ' ' ARG . 21.8 ttm105 -49.37 134.6 18.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.73 HG13 ' O ' ' A' ' 11' ' ' VAL . 5.1 p -107.75 45.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.0 91.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.553 ' C ' HD13 ' A' ' 14' ' ' LEU . 39.6 m-20 -62.01 152.02 33.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.867 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.874 HD13 ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -132.92 76.74 1.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -39.54 -25.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 14' ' ' LEU . 33.0 mt-30 -127.75 144.86 52.77 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.611 0.719 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 174.56 9.29 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.695 2.263 . . . . 0.0 112.361 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.4 mt -124.11 153.23 30.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -110.36 123.74 50.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.437 HG12 ' HG2' ' A' ' 73' ' ' MET . 35.1 m -129.65 143.35 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.0 m -97.19 120.53 37.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.89 109.65 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.614 HD21 ' HB ' ' A' ' 72' ' ' THR . 58.8 mt -65.27 -31.93 73.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -140.1 162.04 36.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.9 t -74.35 163.09 28.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.571 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 67.7 t80 -158.15 161.11 37.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 18.0 mt-10 -142.27 108.48 5.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -48.41 102.23 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -67.85 -33.91 75.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.735 0.302 . . . . 0.0 110.917 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -92.72 158.2 38.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.631 0.729 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 2.57 3.4 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 0.0 112.31 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -129.51 30.79 3.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -111.62 -177.49 3.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.836 0.35 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.4 tp -120.27 146.62 45.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.421 ' O ' HD23 ' A' ' 59' ' ' LEU . 3.4 m-80 -112.0 121.28 44.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 40.2 p90 -138.36 176.98 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -135.09 151.25 50.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.59 104.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.35 -34.95 3.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.15 131.12 50.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.61 127.96 33.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.808 HG21 ' CE2' ' A' ' 66' ' ' PHE . 18.0 mt -109.76 114.27 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.6 m -68.87 96.27 0.75 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.153 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.0 t -67.96 115.16 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.408 HD13 ' HD2' ' A' ' 58' ' ' LYS . 3.5 pt -102.52 -38.37 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.152 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -138.35 108.56 6.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.535 ' HE2' ' CZ2' ' A' ' 55' ' ' TRP . 4.8 ptmm? -129.92 167.9 17.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.5 p -113.55 173.62 6.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.18 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -83.57 42.87 0.86 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.7 m -153.87 130.58 10.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.585 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 73.2 m80 -72.19 -63.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -38.68 -40.09 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.22 164.55 6.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.429 ' CH2' ' HD3' ' A' ' 67' ' ' PRO . 11.1 m95 -93.74 141.99 27.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.535 ' CZ2' ' HE2' ' A' ' 47' ' ' LYS . 54.5 m0 -113.31 175.64 5.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -124.7 114.8 19.79 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.33 -174.37 13.72 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.541 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.408 ' HD2' HD13 ' A' ' 45' ' ' ILE . 26.6 mtpt -129.04 132.9 47.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.484 HD22 ' HB3' ' A' ' 36' ' ' PHE . 8.0 tp -142.38 144.07 32.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.898 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 43.68 45.93 6.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.97 36.47 92.27 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.459 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -133.31 172.98 11.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 110.941 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.7 m -142.88 143.1 31.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.31 179.62 48.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.8 pt -101.21 153.09 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.808 ' CE2' HG21 ' A' ' 42' ' ' ILE . 44.9 p90 -162.67 152.47 13.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.633 0.73 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.439 ' HG2' ' CD1' ' A' ' 70' ' ' TYR . 53.7 Cg_endo -69.76 121.66 8.35 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.697 2.265 . . . . 0.0 112.299 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -56.3 -29.71 61.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -61.08 -11.69 9.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.439 ' CD1' ' HG2' ' A' ' 67' ' ' PRO . 9.8 m-85 -97.36 6.81 47.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 68' ' ' ALA . 17.3 m -138.09 177.91 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.614 ' HB ' HD21 ' A' ' 23' ' ' LEU . 3.9 t -150.3 146.22 26.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.437 ' HG2' HG12 ' A' ' 20' ' ' VAL . 11.0 mtm -103.54 78.46 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -78.82 120.97 24.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.3 p -102.91 89.44 3.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -155.9 147.44 16.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.499 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 78' ' ' SER . 53.7 Cg_endo -69.78 2.78 3.23 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.683 2.255 . . . . 0.0 112.33 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 77' ' ' PRO . 14.4 m -34.76 124.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.81 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -86.32 -175.58 5.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.846 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.512 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 p -59.59 136.68 58.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.832 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -89.27 121.09 31.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.825 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.31 -115.86 3.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.7 p -132.24 125.61 31.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.359 . . . . 0.0 110.862 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.0 t -74.09 142.97 45.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.822 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.6 156.5 7.25 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.471 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -102.96 -58.14 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.768 0.318 . . . . 0.0 110.83 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 67.44 42.65 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -133.71 138.34 45.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.5 p -106.26 148.83 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.82 141.02 8.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.455 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -83.59 46.85 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.706 HD23 ' O ' ' A' ' 14' ' ' LEU . 1.7 tt -86.1 29.36 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 14' ' ' LEU . 2.1 m-80 -34.84 -37.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -163.87 147.58 8.18 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.551 0.691 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HB2' HG22 ' A' ' 43' ' ' THR . 53.3 Cg_endo -69.77 -177.01 1.68 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.66 2.24 . . . . 0.0 112.307 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 19' ' ' GLU . 7.4 mt -122.28 158.43 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.401 ' N ' HG22 ' A' ' 18' ' ' ILE . 23.6 mt-10 -109.84 122.21 47.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.4 m -129.72 146.99 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.096 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.443 ' O ' HG22 ' A' ' 72' ' ' THR . 89.8 m -102.18 126.94 49.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . -69.21 112.5 5.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.409 HD21 ' CG2' ' A' ' 72' ' ' THR . 85.1 mt -69.76 -25.09 63.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -143.84 160.88 40.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m -72.32 160.17 32.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 79.3 t80 -154.32 160.98 42.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.439 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 19.8 mt-10 -144.17 107.24 4.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -48.66 102.11 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -66.27 -35.08 79.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.76 0.314 . . . . 0.0 110.889 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -90.14 156.61 46.26 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.625 0.726 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 3.05 3.02 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.367 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -130.17 27.27 4.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.519 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -106.82 -175.14 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 110.812 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.6 tp -120.29 142.36 49.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -108.95 124.72 51.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.581 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 43.3 p90 -143.3 172.75 12.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -129.52 153.21 48.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.79 103.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 22' ' ' ALA . . . 124.46 -35.78 3.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.43 130.28 44.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.745 0.307 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.413 ' HD3' ' N ' ' A' ' 41' ' ' ARG . 1.6 mpp_? -83.54 130.36 35.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.529 HG21 ' CE1' ' A' ' 66' ' ' PHE . 18.5 mt -113.14 126.68 70.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.41 HG22 ' HB2' ' A' ' 17' ' ' PRO . 28.4 m -79.86 94.01 5.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.427 ' CG1' ' HB3' ' A' ' 47' ' ' LYS . 58.8 t -60.19 108.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.106 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.506 ' O ' HD11 ' A' ' 14' ' ' LEU . 4.7 pt -94.55 -39.14 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 t -141.34 110.03 6.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.534 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 18.6 pttm -127.41 176.01 7.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 81.2 p -120.32 -179.77 4.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -85.96 17.95 3.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.9 m -128.07 135.1 49.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.51 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 11.2 m170 -77.16 -66.17 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -38.73 -38.64 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.23 166.6 2.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.495 ' CH2' ' HD3' ' A' ' 67' ' ' PRO . 11.3 m95 -96.92 134.84 39.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.534 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 53.0 m0 -109.22 172.72 6.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -118.63 119.38 34.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -131.34 177.08 18.78 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.586 ' HG3' HG23 ' A' ' 63' ' ' THR . 7.7 mtpp -122.31 134.97 54.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.34 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.49 ' CD1' ' HG2' ' A' ' 60' ' ' ARG . 6.0 tp -137.56 127.93 26.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.49 ' HG2' ' CD1' ' A' ' 59' ' ' LEU . 20.7 mmm180 44.23 38.28 2.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.63 -28.67 6.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 59' ' ' LEU . 3.1 mp0 -66.87 151.23 47.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.586 HG23 ' HG3' ' A' ' 58' ' ' LYS . 1.3 m -133.63 143.76 48.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 172.47 -179.62 43.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.506 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.1 pt -100.24 158.51 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 111.092 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.536 ' CE2' HG11 ' A' ' 71' ' ' VAL . 50.8 p90 -165.12 152.63 9.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.706 0.765 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.495 ' HD3' ' CH2' ' A' ' 54' ' ' TRP . 54.0 Cg_endo -69.78 122.05 8.73 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -54.34 -33.14 58.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.048 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.605 ' ND2' ' H ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -57.33 -16.18 8.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -94.83 12.08 29.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.536 HG11 ' CE2' ' A' ' 66' ' ' PHE . 16.0 m -145.89 170.55 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.443 HG22 ' O ' ' A' ' 21' ' ' THR . 6.7 t -135.82 144.27 45.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 30.2 ttp -113.0 101.09 9.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -164.56 150.82 10.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 78.8 p -156.38 149.24 23.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 175.36 -158.13 25.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -6.47 18.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.8 m -39.06 134.28 1.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.0 t -146.35 132.08 18.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.1 p -153.23 153.75 33.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.5 p -167.79 174.29 7.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.84 -153.74 5.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -112.53 107.22 15.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.349 . . . . 0.0 110.887 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -78.29 149.23 33.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.1 72.54 0.47 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -42.4 123.07 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.752 0.31 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -63.18 -47.58 82.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.2 mmm-85 55.1 47.2 22.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.6 m -85.08 39.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.31 178.12 18.85 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.459 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -143.28 152.15 41.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -134.38 90.73 2.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.411 HD22 ' N ' ' A' ' 15' ' ' ASN . 1.9 m-80 -77.24 -32.83 55.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -159.59 147.14 13.01 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.558 0.694 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -175.75 1.26 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.647 2.231 . . . . 0.0 112.348 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.7 mt -125.59 145.35 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -102.63 126.47 49.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.0 m -135.13 147.33 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -101.29 124.71 47.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.74 109.1 2.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.403 HD21 ' CG2' ' A' ' 72' ' ' THR . 27.4 mt -65.43 -31.28 72.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -137.26 160.45 38.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 t -74.16 165.1 25.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 55.8 t80 -164.17 135.01 4.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -122.88 99.37 6.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.48 109.59 1.27 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -69.02 -22.27 64.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.771 0.32 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -101.83 152.44 38.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.598 0.713 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 1.02 4.85 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -110.69 -3.21 28.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.91 -177.12 4.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.0 tp -120.86 145.43 47.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.462 ' O ' HD23 ' A' ' 59' ' ' LEU . 3.3 m-80 -109.98 120.0 41.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 47.0 p90 -143.13 168.6 19.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -127.06 156.13 42.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.44 104.3 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.84 -32.6 4.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.54 137.84 57.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.834 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.1 128.71 35.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.881 HG21 ' CE2' ' A' ' 66' ' ' PHE . 18.2 mt -112.87 122.13 66.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.6 m -77.1 103.52 7.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.409 ' CG1' ' HB3' ' A' ' 47' ' ' LYS . 61.7 t -68.06 106.54 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.135 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.457 HD13 ' HD2' ' A' ' 58' ' ' LYS . 5.3 pt -95.05 -37.94 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 t -139.77 107.37 5.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.509 ' HE3' ' CH2' ' A' ' 55' ' ' TRP . 3.7 ptmm? -136.06 169.4 17.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.4 p -117.35 178.19 4.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -65.95 -50.95 62.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.1 m -61.37 155.67 20.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 52' ' ' PHE . 7.7 p-80 -96.78 -62.21 1.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.436 ' C ' ' O ' ' A' ' 51' ' ' HIS . 14.6 m-85 -35.1 -39.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.54 166.91 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.491 ' CE3' HD12 ' A' ' 65' ' ' ILE . 11.8 m95 -95.75 139.09 32.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.588 ' CD2' ' HB2' ' A' ' 68' ' ' ALA . 54.9 m0 -113.62 171.49 7.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -122.38 117.08 25.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.69 179.76 16.41 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.52 ' HG3' HG23 ' A' ' 63' ' ' THR . 8.2 mtpp -125.22 137.79 54.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 35' ' ' ASN . 19.0 tp -138.1 128.41 26.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.3 mtp85 50.2 29.57 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.35 -24.8 27.44 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -69.65 166.42 19.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.938 0.399 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.52 HG23 ' HG3' ' A' ' 58' ' ' LYS . 2.6 m -145.69 140.95 27.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 179.1 178.82 48.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.527 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.491 HD12 ' CE3' ' A' ' 54' ' ' TRP . 7.6 pt -97.59 153.08 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.918 0.39 . . . . 0.0 111.098 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.881 ' CE2' HG21 ' A' ' 42' ' ' ILE . 31.3 p90 -163.74 152.53 11.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.631 0.729 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 121.49 8.17 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.588 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . . . -59.15 -20.08 50.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -68.95 -15.1 63.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -91.09 -4.69 56.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.9 m -127.27 -177.47 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.106 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.403 ' CG2' HD21 ' A' ' 23' ' ' LEU . 12.7 t -150.83 132.9 15.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.12 27.23 9.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -95.33 171.64 8.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.4 t -105.08 116.71 32.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.75 -158.25 11.19 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 135.08 29.62 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.388 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 83.4 p -83.78 166.82 17.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.0 p -93.4 142.87 26.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 179.999 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 p -103.99 175.19 5.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.889 0.376 . . . . 0.0 110.928 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -96.24 174.3 6.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.32 -124.84 0.45 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -153.92 130.36 10.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.9 0.381 . . . . 0.0 110.877 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -126.42 100.68 6.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.71 118.15 4.94 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.475 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -57.01 122.82 13.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -88.53 97.16 10.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.4 ptp85 -118.06 145.75 44.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.5 m -103.34 168.57 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 126.75 52.98 0.15 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.429 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -47.31 113.5 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.834 0.35 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tt -99.3 69.03 1.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -45.47 -42.69 10.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -173.48 144.33 1.09 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.608 0.718 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 176.84 6.21 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.697 2.265 . . . . 0.0 112.361 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.2 mt -123.45 154.32 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -110.42 123.89 50.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.7 m -131.54 143.03 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.2 m -100.02 119.21 37.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.7 110.9 1.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.498 HD21 ' CG2' ' A' ' 72' ' ' THR . 72.8 mt -67.67 -33.22 74.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -138.37 160.1 40.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.7 t -70.44 166.33 20.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.55 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 67.4 t80 -159.58 157.38 29.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.883 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -139.03 105.54 5.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.411 ' H ' ' ND2' ' A' ' 35' ' ' ASN . . . -48.28 102.3 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.435 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -67.18 -35.65 80.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 0.0 110.915 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -88.16 157.47 50.82 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.561 0.696 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 1.52 4.36 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.336 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -130.0 29.65 3.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -107.19 -178.16 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.329 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.434 HD11 ' HB3' ' A' ' 59' ' ' LEU . 9.1 tp -120.63 141.58 50.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.6 ' O ' HD23 ' A' ' 59' ' ' LEU . 3.2 m-80 -109.06 126.87 53.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.556 ' HB3' HD22 ' A' ' 59' ' ' LEU . 36.3 p90 -142.68 179.6 6.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -135.93 156.55 48.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.9 104.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.78 -31.55 4.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.463 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.17 131.56 50.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.861 0.362 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -82.72 134.04 35.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.638 HG21 ' CE2' ' A' ' 66' ' ' PHE . 18.3 mt -116.91 116.72 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 87.1 m -72.34 100.05 2.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.565 HG11 ' HD3' ' A' ' 47' ' ' LYS . 68.2 t -64.52 113.11 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.6 pt -99.79 -38.79 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.19 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.7 t -141.51 106.33 4.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.565 ' HD3' HG11 ' A' ' 44' ' ' VAL . 25.0 pttt -136.26 167.95 20.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.1 p -114.62 -179.13 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.153 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -85.34 38.47 0.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.3 m -149.92 127.34 11.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.801 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 17.5 p-80 -74.84 -56.11 5.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.449 ' H ' ' CD2' ' A' ' 51' ' ' HIS . 22.5 t80 -38.81 -43.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -65.54 163.26 16.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.465 ' CE3' HD12 ' A' ' 65' ' ' ILE . 11.7 m95 -88.94 141.24 28.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.538 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 54.5 m0 -117.16 171.69 7.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.979 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -119.43 115.27 23.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.64 178.5 17.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.504 ' HG3' HG23 ' A' ' 63' ' ' THR . 16.9 mtpt -120.99 136.42 54.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.6 HD23 ' O ' ' A' ' 35' ' ' ASN . 15.9 tp -134.45 128.18 32.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.457 ' HD2' ' N ' ' A' ' 60' ' ' ARG . 0.5 OUTLIER 44.24 34.07 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.79 -31.36 7.3 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' LEU . 13.6 mm100 -66.67 165.0 15.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.939 0.4 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.504 HG23 ' HG3' ' A' ' 58' ' ' LYS . 2.2 m -144.81 145.44 31.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.7 -176.91 47.55 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.517 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.465 HD12 ' CE3' ' A' ' 54' ' ' TRP . 9.7 pt -100.93 153.83 4.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.873 0.368 . . . . 0.0 111.114 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.638 ' CE2' HG21 ' A' ' 42' ' ' ILE . 49.4 p90 -163.61 152.71 12.18 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.684 0.754 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.425 ' HG2' ' CD1' ' A' ' 70' ' ' TYR . 53.8 Cg_endo -69.79 122.38 9.05 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.246 . . . . 0.0 112.356 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.801 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -57.19 -25.84 59.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.074 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -64.61 -11.56 36.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.425 ' CD1' ' HG2' ' A' ' 67' ' ' PRO . 6.3 m-85 -95.87 3.86 53.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 68' ' ' ALA . 15.5 m -135.83 173.17 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.179 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.498 ' CG2' HD21 ' A' ' 23' ' ' LEU . 14.3 t -141.54 150.87 42.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 55.3 mtp -98.69 86.74 3.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -143.81 129.46 19.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.936 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 72.8 m -103.97 107.31 18.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.18 -159.06 17.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -173.79 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.689 2.259 . . . . 0.0 112.37 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.8 m -79.12 138.43 37.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.6 p -100.93 169.33 9.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 3' ' ' SER . 49.9 p -167.71 135.06 2.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 110.857 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 2' ' ' SER . 58.9 p 37.67 42.25 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.849 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.81 133.78 3.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -167.5 118.45 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 110.89 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.5 m -52.74 -51.51 60.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.88 102.51 0.15 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -95.11 129.56 42.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.765 0.317 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -88.14 177.92 6.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -133.29 108.81 8.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 11' ' ' VAL . 34.1 m -91.59 121.19 41.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 43.64 -158.98 0.1 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -103.71 131.79 50.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.707 HD11 ' O ' ' A' ' 45' ' ' ILE . 0.8 OUTLIER -131.99 47.56 2.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 14' ' ' LEU . 2.3 m-20 -34.56 -42.09 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -159.48 148.93 14.55 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.575 0.703 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -174.39 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.697 2.264 . . . . 0.0 112.34 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.462 HD12 ' HD3' ' A' ' 47' ' ' LYS . 5.2 mt -125.39 154.81 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -108.52 126.58 53.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.414 HG12 ' HG2' ' A' ' 73' ' ' MET . 32.8 m -134.76 138.61 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.7 m -96.93 127.78 43.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . -68.43 105.1 2.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.081 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.9 mt -61.39 -33.18 73.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.421 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 9.7 m-85 -139.45 174.86 10.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.8 p -82.41 158.92 23.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.528 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 78.4 t80 -151.85 158.99 43.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.402 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 18.0 mt-10 -141.26 105.09 4.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -48.79 102.33 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -66.66 -35.54 80.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.75 0.31 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -89.98 155.31 47.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.552 0.691 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 1.49 4.41 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.631 2.22 . . . . 0.0 112.383 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -126.54 27.19 5.03 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -108.18 -176.63 3.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.374 . . . . 0.0 110.82 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.546 HD11 ' HB3' ' A' ' 59' ' ' LEU . 7.0 tp -121.69 138.99 54.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -105.26 124.55 49.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.528 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 45.5 p90 -138.55 176.14 8.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -131.85 154.51 49.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.421 ' HB2' ' HA ' ' A' ' 24' ' ' TYR . . . -51.35 104.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.075 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' ALA . . . 123.25 -34.96 3.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -58.82 132.09 52.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -83.22 135.32 34.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.486 HG21 ' CE1' ' A' ' 66' ' ' PHE . 18.8 mt -118.49 115.59 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.4 m -71.44 98.05 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 49.6 t -65.68 123.31 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.707 ' O ' HD11 ' A' ' 14' ' ' LEU . 3.5 pt -109.68 -37.53 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 t -140.68 107.05 5.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.517 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 5.9 ptmm? -130.71 173.59 10.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.4 p -119.87 169.95 9.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -79.59 47.1 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.1 m -158.11 133.15 8.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.425 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 7.5 m-70 -75.97 -60.23 2.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -39.41 -42.06 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -62.57 165.52 6.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -96.97 137.73 35.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.517 ' CD2' ' HB2' ' A' ' 47' ' ' LYS . 53.9 m0 -111.05 171.43 7.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -120.28 114.11 21.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.06 -173.21 13.64 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -127.08 137.73 53.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.546 ' HB3' HD11 ' A' ' 34' ' ' LEU . 5.7 tp -140.99 127.75 20.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.492 ' HG2' ' CD1' ' A' ' 59' ' ' LEU . 21.3 mmm-85 44.41 45.78 7.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.12 -25.78 4.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.524 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -71.54 166.43 21.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.93 0.395 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.2 m -151.43 145.67 25.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.26 -172.78 45.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.3 pt -102.34 153.75 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.359 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.486 ' CE1' HG21 ' A' ' 42' ' ' ILE . 49.3 p90 -164.75 152.54 10.33 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.737 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 122.95 9.61 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.235 . . . . 0.0 112.293 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -59.32 -18.79 40.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.053 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -69.39 -13.49 62.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -95.08 -4.46 46.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.422 HG11 ' CE2' ' A' ' 66' ' ' PHE . 14.0 m -130.63 -178.06 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.2 t -152.07 152.65 32.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.414 ' HG2' HG12 ' A' ' 20' ' ' VAL . 49.9 mtp -109.42 88.9 2.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -131.14 147.46 52.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.0 m -110.27 153.03 25.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.32 -159.21 15.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.506 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 130.92 20.07 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.659 2.239 . . . . 0.0 112.338 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.4 m -92.54 148.21 22.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.7 t -66.3 149.86 49.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.479 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.6 p -98.03 138.12 35.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.39 . . . . 0.0 110.82 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.1 p -87.43 -44.55 11.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.93 157.83 9.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.5 m -143.43 138.87 29.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.373 . . . . 0.0 110.853 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.9 t -130.79 120.29 23.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.77 105.5 1.12 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.472 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 37.8 p-80 -119.25 152.9 35.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.721 0.296 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -78.48 135.42 37.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 -96.67 42.98 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.1 m -85.99 40.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.06 -52.63 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.46 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 61.73 39.16 14.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.476 HD11 ' O ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -89.57 104.41 16.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -87.15 -32.49 19.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.476 ' O ' HD11 ' A' ' 14' ' ' LEU . 6.8 pt20 -151.53 144.04 16.6 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.572 0.701 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.477 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 53.6 Cg_endo -69.82 177.26 5.8 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.67 2.247 . . . . 0.0 112.327 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 19' ' ' GLU . 9.6 mt -109.96 161.66 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.449 ' N ' HG22 ' A' ' 18' ' ' ILE . 25.4 mt-10 -116.63 123.14 46.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.8 m -129.59 145.55 35.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.4 m -99.49 121.93 41.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . -60.86 112.61 2.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.453 HD21 ' CG2' ' A' ' 72' ' ' THR . 85.4 mt -69.67 -35.52 75.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.946 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -138.93 166.35 24.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.1 p -73.47 159.21 33.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.839 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 75.6 t80 -155.77 158.77 38.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 8.3 mt-10 -143.35 107.03 4.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -48.09 101.81 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -65.85 -35.18 79.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.758 0.313 . . . . 0.0 110.887 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -91.87 157.43 41.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.543 0.687 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 2.51 3.45 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.667 2.244 . . . . 0.0 112.386 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -126.26 26.43 5.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.532 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -108.62 -177.47 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.7 tp -120.63 147.91 44.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.487 ' O ' HD23 ' A' ' 59' ' ' LEU . 20.5 m-80 -110.18 122.85 48.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 26' ' ' PHE . 53.9 p90 -142.0 172.21 12.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -129.43 159.99 34.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.9 104.39 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' ALA . . . 121.96 -28.51 5.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.52 127.56 31.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.831 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.1 mmm-85 -80.75 126.29 31.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.466 HG21 ' CE2' ' A' ' 66' ' ' PHE . 15.2 mt -110.67 122.81 65.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.45 HG22 ' HB2' ' A' ' 17' ' ' PRO . 23.0 m -79.33 97.23 6.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 17' ' ' PRO . 51.5 t -63.06 113.11 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.1 pt -97.04 -37.28 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 t -142.89 110.2 5.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.515 ' HB2' ' CG ' ' A' ' 55' ' ' TRP . 13.0 pttm -128.55 179.65 5.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.0 p -125.62 -179.12 4.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.162 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.61 -62.58 1.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.6 t -58.15 142.53 46.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.474 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 10.3 p80 -82.4 -56.82 3.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.427 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 25.2 m-85 -36.98 -41.53 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -55.65 165.1 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.556 ' CH2' ' HD3' ' A' ' 67' ' ' PRO . 11.5 m95 -92.51 139.39 30.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.515 ' CG ' ' HB2' ' A' ' 47' ' ' LYS . 54.6 m0 -111.24 170.93 7.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -118.99 112.29 19.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.14 -177.12 14.78 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -127.42 138.14 52.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.492 ' CD1' ' HG2' ' A' ' 60' ' ' ARG . 5.3 tp -142.29 128.07 19.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.914 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.492 ' HG2' ' CD1' ' A' ' 59' ' ' LEU . 16.3 mmm-85 44.32 54.23 6.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.84 42.67 99.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -133.14 167.28 20.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.7 m -146.77 137.3 23.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 179.24 173.92 44.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.501 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.6 pt -99.79 147.38 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 111.131 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.487 ' HA ' ' CE3' ' A' ' 54' ' ' TRP . 49.4 p90 -157.24 152.62 21.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.653 0.739 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.556 ' HD3' ' CH2' ' A' ' 54' ' ' TRP . 53.7 Cg_endo -69.82 121.5 8.17 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.628 2.219 . . . . 0.0 112.344 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 51' ' ' HIS . . . -58.51 -20.46 46.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -68.72 -11.69 60.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -96.02 -2.52 46.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.5 m -130.36 176.35 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.162 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.453 ' CG2' HD21 ' A' ' 23' ' ' LEU . 9.0 t -137.2 130.5 31.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.9 tmm? -113.22 95.42 5.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -112.84 -49.71 2.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.3 t 47.33 45.61 16.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -148.53 147.08 17.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 78' ' ' SER . 54.2 Cg_endo -69.75 -4.19 13.51 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.241 . . . . 0.0 112.34 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 77' ' ' PRO . 6.2 t -34.6 -64.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.8 m -103.62 143.8 32.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.414 -179.954 . . . . . . . . 0 0 . 1 stop_ save_