data_2l9f_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 2l9f _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 ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.899 0.38 . . . . 61.34 111.156 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.54 -42.46 87.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.01 110.895 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -33.27 71.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 65.42 110.892 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 tt -60.28 -52.6 64.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 74.03 110.941 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -63.34 -53.21 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 71.44 111.099 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -56.24 -39.85 73.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 73.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -63.54 -55.19 25.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 75.04 110.805 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.0 mt -57.08 -36.74 70.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.302 -0.408 . . . . 75.21 110.967 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.7 t -71.78 -48.07 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 72.0 111.109 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.79 -49.68 75.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 74.33 111.055 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.86 -31.22 72.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 72.43 110.885 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -78.77 -16.59 57.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 73.51 110.96 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.19 6.13 49.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 73.44 111.078 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 70.17 35.66 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 74.02 110.827 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.5 161.7 32.64 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.646 0.736 . . . . 74.25 110.878 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 162.37 42.3 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.687 2.258 . . . . 63.33 112.342 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.0 p -82.11 -14.08 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 70.22 111.108 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.15 -19.51 43.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 72.03 110.859 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 p -102.34 -5.08 9.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 72.21 111.146 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.96 118.91 12.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 74.21 110.866 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -81.02 148.15 29.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 71.11 110.82 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.52 -22.73 60.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 73.21 110.843 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -103.18 17.65 23.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 71.24 110.841 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.5 p -80.3 111.2 16.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.914 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -68.62 156.83 37.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 75.25 110.905 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -81.7 24.9 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 71.13 110.869 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 41' ' ' LEU . 17.3 mt -160.05 -42.72 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 73.24 110.892 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -61.5 -44.07 97.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 75.4 110.831 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.59 -60.23 1.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 72.42 110.853 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.7 mt -55.21 -25.21 31.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 74.31 110.931 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.0 m80 50.23 68.22 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 75.31 110.848 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.1 105.16 9.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 71.31 110.879 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.8 m -56.14 158.23 4.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 74.34 110.878 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.6 p -47.72 -39.43 17.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 62.23 110.868 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 41.6 mm -73.8 -38.48 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 75.21 111.162 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.1 m -65.58 -42.2 92.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 75.33 111.151 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.8 t -58.41 -49.75 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 74.1 111.13 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.39 -28.29 59.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 53.4 112.488 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -65.82 -44.99 83.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.813 0.339 . . . . 64.33 110.897 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.21 -32.76 33.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 75.32 110.933 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.3 t -59.65 -36.1 63.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 72.12 111.165 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -67.18 -32.25 73.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 64.4 110.879 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -69.69 -34.49 74.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 72.45 110.918 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.76 -52.06 34.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 74.04 111.011 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.71 -40.11 59.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 72.12 111.128 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -44.65 92.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 73.31 110.848 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.25 -40.81 77.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 71.01 111.111 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 44.0 mmm -72.34 -8.33 54.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 74.01 110.881 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.82 46.75 16.47 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.713 -0.756 . . . . 73.13 112.485 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.3 mt -108.69 -163.9 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.819 0.342 . . . . 55.23 110.909 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.6 t -158.19 -76.03 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 74.44 110.826 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.49 -13.09 59.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 64.44 111.095 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 69.7 t -60.26 -17.44 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 71.4 111.097 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.51 106.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.23 111.071 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.3 mtp 64.91 84.44 0.18 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.573 0.702 . . . . 75.5 110.848 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 -37.9 8.35 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.65 2.233 . . . . 64.42 112.4 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.7 t -160.22 177.13 10.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 74.14 111.12 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -51.52 140.09 18.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 75.52 110.868 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -118.24 -15.79 9.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 63.45 110.855 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.51 -18.55 11.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 73.41 111.134 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.5 t -126.88 11.09 7.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 61.12 111.102 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.32 170.53 7.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 60.14 111.136 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.9 p -121.69 171.21 9.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 72.42 111.091 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.2 m -54.72 -37.61 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 71.5 111.059 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -64.25 -39.43 93.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 73.5 110.86 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -68.6 -48.73 63.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 55.13 110.864 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 35.1 ttm -62.27 -41.9 98.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 72.43 110.823 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.56 -42.47 78.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 74.54 111.069 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.63 -44.38 86.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 73.41 110.886 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.33 94.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 65.14 111.068 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.9 mt -70.1 -44.85 68.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 73.34 110.892 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -64.49 -32.08 73.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.935 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.402 ' N ' ' HG3' ' A' ' 86' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 74.1 111.082 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.859 0.361 . . . . 73.44 111.1 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.43 -46.13 60.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 75.22 110.933 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -69.4 -33.49 73.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.35 110.842 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 tt -67.17 -52.7 38.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 73.44 110.904 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.9 t -65.19 -45.38 94.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 73.43 111.098 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.5 -39.86 94.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 74.24 110.895 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -63.61 -55.71 21.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 73.34 110.84 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.4 mt -57.37 -35.85 70.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.934 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.89 -48.26 51.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 75.22 111.164 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.72 -48.24 81.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 73.34 111.126 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.94 -28.43 69.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 73.53 110.89 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.53 -24.91 45.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 72.43 110.869 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.37 14.99 14.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 74.12 111.127 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 59.96 40.64 18.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 72.31 110.856 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.1 mt -147.58 159.32 41.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.566 0.698 . . . . 73.32 110.921 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 157.1 61.35 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.568 2.179 . . . . 74.43 112.354 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 p -77.34 -14.04 14.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 75.14 111.125 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.45 -20.53 36.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 53.12 110.881 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.1 p -101.7 -1.93 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.503 . . . . 63.04 111.064 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.31 121.01 16.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 72.41 110.882 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -79.57 146.67 32.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 75.4 110.88 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.2 -27.22 61.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 71.13 110.878 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -101.9 18.27 21.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.443 . . . . 71.14 110.881 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.26 139.32 44.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 74.24 110.928 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -94.64 156.37 16.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 70.04 110.862 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -83.41 23.56 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 74.55 110.91 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.9 mt -157.41 -41.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 75.24 110.924 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -58.28 -52.42 65.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.899 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.79 -55.94 2.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.864 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.6 mt -57.55 -25.61 60.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 72.45 110.957 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 48.37 73.46 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 73.13 110.84 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -130.27 112.26 13.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 73.03 110.9 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.6 m -60.41 160.46 8.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 72.4 110.859 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -48.53 -38.19 19.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 72.22 110.876 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.8 mm -74.47 -39.54 48.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 74.43 111.13 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.5 m -63.62 -38.44 91.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 73.24 111.155 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.1 t -63.27 -49.18 84.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 74.33 111.101 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.61 -28.45 56.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 65.23 112.46 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -66.74 -43.84 83.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.345 . . . . 75.11 110.925 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.07 -33.06 33.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 75.21 110.879 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.6 t -58.63 -35.42 55.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 75.03 111.137 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -66.83 -32.88 74.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 74.1 110.889 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 -70.44 -34.01 71.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 74.04 110.95 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.09 -51.18 49.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 71.45 111.112 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.31 -36.08 77.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 73.34 111.106 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -44.83 93.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 72.13 110.903 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.21 -37.95 78.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 71.21 111.097 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 99.6 mmm -71.84 -22.53 61.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.925 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.96 17.29 38.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 75.41 112.433 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.1 mt -75.72 -165.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 74.35 110.937 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.0 t -159.11 -76.81 0.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.24 -0.436 . . . . 74.2 110.788 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.04 -12.61 59.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 74.41 111.092 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.6 t -60.7 -16.61 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.53 111.136 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.64 106.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 75.13 111.107 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.0 mtp 64.51 82.99 0.2 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.533 0.682 . . . . 64.55 110.899 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -24.47 29.49 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.655 2.237 . . . . 63.33 112.287 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.0 t -175.79 174.98 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 51.1 111.149 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -50.07 140.24 12.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 74.24 110.947 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -119.09 -19.0 8.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 71.43 110.83 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.74 -19.09 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 71.22 111.095 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.4 t -124.34 10.98 8.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 74.54 111.138 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.38 172.67 6.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 72.25 111.06 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.8 p -120.61 168.43 11.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 70.35 111.128 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.1 m -54.24 -35.41 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 71.42 111.127 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.12 -38.88 89.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 74.13 110.891 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -67.52 -48.56 66.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 73.33 110.874 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 37.0 ttm -62.7 -43.62 98.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 72.13 110.89 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.55 -42.86 77.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 73.14 111.102 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -66.97 -36.5 82.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 62.13 110.841 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.14 91.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 72.45 111.015 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.6 mt -69.98 -44.54 69.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.413 . . . . 75.23 110.911 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -63.82 -32.5 74.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 74.15 110.93 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.401 ' N ' ' HG3' ' A' ' 86' ' ' GLU . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 74.52 111.151 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.809 0.338 . . . . 44.5 111.084 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.62 -45.44 71.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 73.24 110.909 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -70.48 -33.74 71.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 63.22 110.894 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 tt -62.96 -52.76 61.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 74.51 110.953 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 t -63.09 -50.74 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 73.41 111.12 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -58.43 -39.4 79.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.828 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -63.74 -54.68 31.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 75.3 110.843 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.6 mt -56.67 -36.06 69.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 73.42 110.828 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 t -72.27 -49.48 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 72.22 111.046 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.72 -48.16 78.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 74.41 111.162 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -63.8 -26.34 68.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 73.43 110.909 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -79.19 -29.0 42.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 71.21 110.895 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.49 10.93 20.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 74.42 111.104 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 63.23 27.31 15.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 73.1 110.845 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.8 mt -128.59 157.96 73.41 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.515 0.674 . . . . 73.14 110.968 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 148.63 65.38 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.657 2.238 . . . . 71.31 112.318 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.0 p -70.96 -13.41 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 75.23 111.125 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.51 -19.92 37.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.3 110.868 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -103.6 -3.56 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 74.21 111.155 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.41 120.23 14.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 75.53 110.868 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.98 144.97 32.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 74.25 110.921 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -72.36 -26.26 61.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.34 110.92 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -98.95 17.65 19.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 63.22 110.889 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.64 131.99 39.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 72.44 110.842 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -86.04 159.03 19.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 75.52 110.794 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -86.3 23.01 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 70.14 110.839 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.0 mt -156.8 -42.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 74.44 110.884 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -60.01 -52.06 67.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.881 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.06 -58.1 2.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 71.11 110.847 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.4 mt -57.47 -24.56 56.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.926 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 37.2 t60 48.53 63.95 1.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.53 110.86 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.67 105.92 10.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 74.31 110.916 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.7 m -55.52 161.9 1.82 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 74.52 110.874 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -47.21 -39.32 13.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 74.53 110.883 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 42.5 mm -74.35 -40.66 49.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 70.41 111.096 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.8 m -62.76 -38.83 92.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 71.1 111.111 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.9 t -63.48 -49.34 83.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 72.44 111.138 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.17 -27.66 60.42 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.765 -0.731 . . . . 62.22 112.452 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -64.27 -47.73 78.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 54.41 110.932 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.13 -32.29 30.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 62.21 110.906 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.412 HG21 ' CE2' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -58.96 -28.73 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 73.54 111.138 179.809 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.406 ' N ' HG12 ' A' ' 55' ' ' VAL . 4.9 m-20 -69.31 -41.91 76.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 73.01 110.924 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -62.02 -35.61 79.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 72.05 110.883 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.24 -51.78 67.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 73.21 111.174 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.6 -35.36 74.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 75.53 111.074 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -46.02 90.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 74.14 110.868 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.45 -39.44 77.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 64.33 111.115 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 74.6 mmm -70.52 -21.62 62.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 73.43 110.874 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.64 32.85 12.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.746 . . . . 72.31 112.518 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.6 mt -91.99 -165.89 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 75.45 110.902 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.6 t -157.5 -77.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.812 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.32 -12.93 60.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.53 111.063 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.62 -16.24 14.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 62.43 111.102 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.8 107.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 74.05 111.064 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.5 mtp 65.22 81.81 0.21 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.59 0.709 . . . . 71.53 110.861 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -29.72 23.31 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.725 2.283 . . . . 74.21 112.337 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.7 t -170.7 176.7 4.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 74.34 111.132 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -50.37 143.03 9.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 72.21 110.849 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.412 ' CE2' HG21 ' A' ' 55' ' ' VAL . 32.7 m-85 -122.34 -17.58 7.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 75.43 110.929 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.22 -19.03 7.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 74.14 111.137 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 t -124.57 10.88 8.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 71.42 111.121 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.83 169.1 8.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 64.41 111.092 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 29.1 p -119.28 172.14 7.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 74.55 111.099 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.3 m -53.9 -36.82 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 64.24 111.065 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.67 -43.26 89.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 75.52 110.835 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.65 -48.66 78.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.86 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 27.5 ttm -64.08 -36.62 84.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 73.35 110.902 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.17 -51.34 39.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 62.04 111.029 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -59.84 -35.97 75.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 71.5 110.921 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.62 85.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 74.51 111.075 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 40.1 mt -72.35 -44.73 62.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 64.11 110.89 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -62.17 -36.69 82.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 74.03 110.911 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 60.03 111.062 179.922 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.735 0.302 . . . . 73.04 111.054 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -69.06 -34.38 75.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 74.41 110.874 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -34.34 73.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 74.31 110.843 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 tt -67.32 -52.94 34.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.88 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.8 t -63.4 -49.91 80.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 72.12 111.18 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.5 mtp180 -58.88 -39.88 82.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 73.51 110.925 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -63.99 -51.76 62.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 74.04 110.796 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.4 mt -57.79 -36.17 71.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.897 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.35 -44.94 62.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 75.23 111.094 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.82 -48.06 83.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 74.45 111.099 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -64.65 -28.52 69.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 74.45 110.909 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.74 -17.7 52.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 73.45 110.872 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.3 13.64 34.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 74.44 111.121 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 55.47 46.16 23.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 74.01 110.838 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 pp -147.61 157.14 44.96 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.63 0.728 . . . . 73.23 110.913 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 135.75 31.22 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.643 2.228 . . . . 74.33 112.367 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.01 -16.7 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 70.14 111.124 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.9 -19.66 57.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 74.42 110.947 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.4 p -104.65 -0.89 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 73.24 111.071 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -69.17 120.42 14.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.907 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -80.62 150.32 29.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.905 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.14 -25.67 60.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 73.44 110.939 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -99.9 18.25 18.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 73.24 110.845 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.1 p -72.97 122.47 21.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 72.21 110.866 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.437 ' C ' ' H ' ' A' ' 41' ' ' LEU . 5.5 mtp180 -84.62 152.24 23.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.798 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -79.54 25.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 74.43 110.867 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.437 ' H ' ' C ' ' A' ' 39' ' ' ARG . 12.8 mt -159.3 -43.24 0.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 75.21 110.889 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -57.04 -56.11 25.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 64.42 110.831 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.39 -56.18 2.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 73.54 110.869 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.1 mt -55.89 -25.52 43.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 72.05 110.92 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.0 t60 48.06 79.39 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 74.42 110.837 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -135.82 109.2 7.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 60.12 110.839 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.7 m -57.79 159.84 5.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.857 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 p -48.23 -37.85 17.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 74.54 110.772 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.3 mp -74.5 -40.66 48.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 72.24 111.156 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.5 m -62.95 -37.62 87.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 75.32 111.168 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.2 t -64.17 -49.3 81.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 71.13 111.183 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.68 -28.21 56.34 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.766 -0.731 . . . . 74.11 112.521 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -67.02 -44.54 80.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 73.14 110.94 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.94 -32.44 34.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 74.52 110.997 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.2 t -58.05 -35.05 50.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 75.25 111.141 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -66.75 -31.24 71.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 64.24 110.874 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -70.58 -34.12 71.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 75.34 110.85 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.65 -52.45 37.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 73.42 111.128 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.18 -38.15 76.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 65.13 111.125 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -42.22 94.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 72.5 110.819 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.77 -41.45 78.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 73.23 111.099 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.9 mmm -71.24 -21.52 62.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 61.54 110.894 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.98 2.37 56.04 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.757 -0.735 . . . . 71.01 112.464 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.4 mt -66.49 -163.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 73.01 110.916 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.9 p -167.0 -76.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 53.2 110.863 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.55 -12.87 61.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 75.22 111.096 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 68' ' ' ALA . 99.6 t -62.37 -15.32 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 70.53 111.112 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 67' ' ' VAL . . . -37.14 105.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.116 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.3 mtp 62.31 82.27 0.22 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 74.11 110.89 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -22.23 32.37 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.617 2.211 . . . . 72.42 112.415 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.0 t -176.49 171.33 2.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 62.53 111.179 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -48.95 139.51 10.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 73.22 110.9 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -119.16 -19.93 8.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 65.42 110.87 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.13 -19.67 5.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 73.13 111.118 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.7 t -123.38 10.89 9.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 72.44 111.119 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -107.17 173.81 6.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 53.43 111.151 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.0 p -123.71 169.5 11.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 73.43 111.115 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.5 m -52.44 -37.16 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 71.34 111.148 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.59 -38.74 92.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 74.33 110.891 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -68.47 -48.34 64.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 73.14 110.881 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 40.3 ttm -62.79 -43.47 98.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 74.32 110.874 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.92 -43.88 74.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 75.53 111.063 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.8 -40.83 89.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 71.55 110.884 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.43 -48.17 82.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 73.13 111.126 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 44.4 mt -72.16 -31.98 66.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 74.23 110.947 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.78 -47.08 87.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 63.54 110.83 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 73.14 111.106 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.89 0.376 . . . . 72.21 111.127 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.86 -46.97 84.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 75.42 110.894 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -32.96 68.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 61.41 110.922 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tt -60.26 -53.52 56.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 73.33 110.975 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.4 t -60.91 -53.49 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 72.32 111.189 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.7 mtp85 -56.83 -38.37 72.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 75.02 110.871 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -67.47 -54.42 20.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 55.22 110.81 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.3 mt -57.28 -40.49 77.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 73.24 110.975 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 68.7 t -72.02 -48.61 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 75.53 111.117 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.45 -48.37 74.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 71.41 111.121 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.45 -25.11 67.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 64.33 110.857 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.47 -25.44 50.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.87 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.44 11.12 24.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 70.44 111.085 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.77 39.34 6.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 72.44 110.89 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.27 159.45 42.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.635 0.731 . . . . 74.11 110.877 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 156.26 63.61 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.717 2.278 . . . . 70.23 112.299 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.0 p -74.51 -6.27 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 71.13 111.163 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.26 -24.38 37.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 74.13 110.885 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.4 m -92.52 -12.35 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 72.41 111.146 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.83 121.44 17.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 75.22 110.947 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -99.61 157.14 16.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 64.14 110.897 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -72.1 -15.36 62.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.909 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -108.56 17.64 21.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 73.44 110.891 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.44 94.11 8.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 75.42 110.901 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -50.73 160.39 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 75.43 110.895 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.503 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 65.1 m-85 -83.15 18.42 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.927 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 40' ' ' PHE . 1.0 OUTLIER -152.7 -32.42 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 74.43 110.92 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -74.01 -61.88 1.7 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 71.44 110.867 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.39 0.89 31.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.163 -0.471 . . . . 64.12 110.853 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.408 ' CD1' ' HA ' ' A' ' 40' ' ' PHE . 96.2 mt -121.2 -24.64 5.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 74.21 110.9 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 47.03 50.29 14.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 62.45 110.853 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.1 mmm -107.7 127.57 53.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 73.35 110.943 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.8 m -72.3 154.34 41.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 73.44 110.841 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 p -47.37 -38.64 13.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 63.32 110.877 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.9 mm -74.17 -42.0 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 70.41 111.166 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 82.3 m -60.73 -37.04 80.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 70.14 111.16 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.1 t -61.86 -49.79 82.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 71.24 111.108 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.55 -26.85 60.3 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.739 -0.744 . . . . 60.2 112.503 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -65.95 -46.91 76.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 55.21 110.897 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.48 -31.96 29.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 74.51 110.939 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -58.06 -28.56 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 75.22 111.171 179.779 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.406 ' N ' HG12 ' A' ' 55' ' ' VAL . 1.2 m-80 -69.9 -39.0 76.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 71.22 110.835 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -61.38 -34.9 76.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 74.51 110.941 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.59 -52.62 50.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 72.24 111.113 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.11 -39.26 59.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 63.24 111.148 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -44.73 94.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 70.32 110.889 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.2 -42.49 75.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 74.3 111.137 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 65.7 mmm -71.61 -9.17 57.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 72.51 110.953 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.3 50.76 20.26 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 74.43 112.415 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.0 mt -108.92 -164.44 0.94 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.848 0.356 . . . . 74.11 110.911 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.0 t -157.73 -75.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.924 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.39 -13.87 59.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 63.31 111.081 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.0 t -61.57 -16.88 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 74.32 111.105 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -43.79 106.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 52.24 111.122 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.0 mtp 65.85 82.65 0.2 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.601 0.715 . . . . 73.35 110.856 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -31.65 20.2 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.655 2.237 . . . . 74.43 112.356 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.8 t -168.68 174.58 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 74.34 111.135 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -50.02 143.51 7.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 74.52 110.897 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -122.64 -6.29 8.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 62.51 110.9 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.416 ' HA ' HD13 ' A' ' 41' ' ' LEU . . . -68.24 -5.92 20.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 75.05 111.12 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 t -137.97 10.12 2.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 75.33 111.106 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.91 173.83 6.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 73.3 111.066 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.6 p -119.74 168.37 11.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 65.24 111.215 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.412 ' HA ' ' CZ ' ' A' ' 40' ' ' PHE . 5.5 m -53.14 -36.09 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 74.4 111.136 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -67.16 -39.33 86.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 72.4 110.858 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -64.08 -48.68 75.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 74.53 110.84 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 25.0 ttm -63.18 -40.63 98.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 73.44 110.914 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.98 -49.58 56.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 63.44 111.065 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -59.37 -36.06 75.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 71.32 110.873 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.64 -40.57 73.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 71.44 111.105 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.5 mt -71.07 -45.02 64.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 64.23 110.893 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -64.13 -33.53 76.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 74.42 110.929 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 74.23 111.092 179.916 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.756 0.312 . . . . 74.12 111.069 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.36 -40.98 79.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 75.11 110.936 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -34.15 70.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.155 -0.475 . . . . 64.21 110.883 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.69 -53.92 51.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 71.35 110.963 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.9 t -65.32 -51.57 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 74.34 111.158 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -55.49 -38.35 69.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 73.01 110.896 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -65.89 -59.46 3.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.895 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.1 mt -57.04 -36.54 70.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 73.3 110.861 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 t -71.46 -48.92 50.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 74.41 111.134 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.8 -46.67 89.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 75.33 111.132 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.19 -25.62 68.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 71.13 110.876 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -78.47 -28.6 46.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.791 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.33 9.08 24.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 73.24 111.029 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 64.26 44.84 4.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 63.43 110.87 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.91 159.72 39.69 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.6 0.714 . . . . 74.42 110.901 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 143.59 51.66 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.69 2.26 . . . . 75.32 112.381 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.4 p -68.64 -11.86 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 72.32 111.141 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.5 -21.02 38.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.2 110.91 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 p -101.12 -3.19 9.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 74.14 111.114 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.96 118.15 11.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 73.04 110.933 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.6 mtp85 -91.11 157.11 17.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 75.32 110.91 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -75.47 -14.63 60.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 73.41 110.892 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -97.53 -6.81 32.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.819 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.74 107.82 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 64.21 110.841 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -73.74 162.05 29.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 72.52 110.856 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.402 ' CZ ' ' HA ' ' A' ' 78' ' ' VAL . 39.8 m-85 -84.54 24.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 74.41 110.875 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.427 ' HA ' ' HA ' ' A' ' 45' ' ' HIS . 12.6 mt -157.78 -39.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 72.32 110.942 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.23 -57.48 11.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 75.11 110.906 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.99 -56.95 2.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 60.12 110.878 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.1 mt -58.69 -27.31 64.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 74.04 110.895 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 41' ' ' LEU . 5.7 t-160 49.52 74.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.895 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.46 113.45 13.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 65.31 110.895 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.1 m -58.74 160.15 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.853 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 p -47.9 -39.45 18.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 73.1 110.834 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 41.7 mm -74.83 -37.83 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 71.42 111.148 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.3 m -64.9 -38.49 91.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 71.11 111.14 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.5 t -63.59 -47.76 89.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 73.41 111.152 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.34 -27.88 63.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 62.51 112.482 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -47.48 81.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 75.34 110.916 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.98 -32.33 30.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 75.11 110.916 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -58.55 -28.79 37.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 73.5 111.173 179.755 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.41 ' N ' HG12 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -69.8 -40.42 75.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 74.51 110.886 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -61.63 -36.0 79.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 72.34 110.815 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.73 -51.4 62.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 65.15 111.119 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.4 -38.37 66.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 55.5 111.151 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -59.64 -44.19 93.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.87 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.05 -41.56 77.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 71.2 111.063 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 68.8 mmm -72.05 -8.12 52.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 74.31 110.909 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.52 48.32 30.22 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.785 -0.721 . . . . 74.41 112.521 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.4 mt -107.02 -164.29 0.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 70.32 110.927 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.2 t -158.91 -75.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 71.54 110.885 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.97 -13.09 60.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 74.21 111.089 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.7 t -60.69 -17.16 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.416 . . . . 74.31 111.081 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.14 106.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 75.15 111.053 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.5 mtp 64.79 81.21 0.22 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.57 0.7 . . . . 74.22 110.845 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 -25.3 29.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.639 2.226 . . . . 71.35 112.39 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.3 t -175.12 173.38 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 75.14 111.237 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -49.42 141.83 8.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 74.54 110.855 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.407 ' CE2' HG21 ' A' ' 55' ' ' VAL . 35.8 m-85 -120.83 -19.85 7.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 75.5 110.845 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.39 -19.56 5.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 70.53 111.099 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 t -122.92 10.63 9.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 74.02 111.161 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.24 176.69 5.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 73.15 111.115 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.9 p -124.84 169.87 11.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 75.33 111.045 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.402 ' HA ' ' CZ ' ' A' ' 40' ' ' PHE . 3.5 m -53.57 -36.78 29.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 72.1 111.087 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -67.09 -38.3 85.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 72.15 110.862 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -65.11 -48.73 72.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 72.53 110.885 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 29.0 ttm -65.39 -39.86 92.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 73.42 110.85 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.34 -49.46 55.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 54.32 111.089 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -59.85 -36.63 77.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.294 -0.412 . . . . 75.25 110.864 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.17 -43.99 85.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 64.25 111.14 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.4 mt -71.8 -42.16 67.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.901 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.18 -31.1 70.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 63.23 110.847 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 64.25 111.14 179.898 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.848 0.356 . . . . 72.21 111.132 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.401 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -59.35 -38.86 81.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 73.4 110.955 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -32.9 71.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 72.45 110.918 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 tt -61.54 -53.41 56.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 73.34 110.963 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.8 t -62.52 -53.59 45.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 74.12 111.119 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -55.46 -39.36 70.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 73.52 110.88 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -64.52 -50.6 66.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.133 -0.485 . . . . 74.04 110.842 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.5 mt -57.16 -41.48 79.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.898 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.4 t -67.0 -49.18 76.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 75.11 111.069 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.79 -48.91 76.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 64.32 111.113 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -64.73 -28.23 69.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 75.53 110.857 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -78.95 -16.12 57.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 73.43 110.808 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.25 9.82 42.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 75.14 111.153 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 65.49 37.16 6.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 73.02 110.821 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.74 159.86 39.79 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.579 0.704 . . . . 72.12 110.925 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 157.12 61.39 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.659 2.239 . . . . 73.12 112.345 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.6 p -74.99 -5.63 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 72.35 111.175 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.8 -25.55 32.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 72.11 110.951 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.3 m -92.54 -8.31 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 73.52 111.074 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.78 127.19 32.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 73.45 110.949 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.6 155.2 18.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 74.51 110.884 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -73.18 -14.62 61.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 73.42 110.839 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -100.19 -6.59 25.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 73.4 110.816 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.49 112.47 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 51.14 110.943 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.44 ' C ' ' H ' ' A' ' 41' ' ' LEU . 5.0 mtp180 -77.6 157.44 30.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 72.32 110.919 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 78' ' ' VAL . 45.4 m-85 -78.85 22.29 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 74.11 110.922 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.441 ' HA ' ' HA ' ' A' ' 45' ' ' HIS . 13.6 mt -158.84 -40.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 72.01 110.972 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -57.47 -53.7 55.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 73.2 110.831 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.62 -51.47 2.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 75.51 110.82 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.8 mt -60.06 -25.06 65.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 75.23 110.98 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 41' ' ' LEU . 23.7 t-160 47.37 82.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 74.1 110.902 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.7 mtp -138.12 116.94 12.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 73.03 110.871 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.6 m -61.38 155.57 21.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 62.41 110.841 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.74 -37.58 19.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 74.11 110.877 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.1 mm -73.88 -41.2 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 71.21 111.188 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.7 m -61.83 -35.05 77.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 73.03 111.173 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.6 t -65.97 -50.86 66.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 73.2 111.099 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.45 -28.03 58.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.795 -0.717 . . . . 64.12 112.445 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -62.72 -46.97 85.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 72.43 110.947 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.34 -31.91 29.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 74.21 110.916 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.9 t -56.44 -33.94 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 72.34 111.123 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -67.44 -34.42 77.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 75.34 110.859 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -71.32 -34.06 70.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 74.53 110.899 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.39 -51.18 64.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 72.42 111.084 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.72 -36.15 80.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.282 -0.417 . . . . 63.22 111.169 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -43.54 94.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 70.13 110.829 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.99 -38.99 79.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 53.14 111.089 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 93.6 mmm -71.51 -22.74 61.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 72.53 110.931 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.29 14.41 41.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.747 . . . . 74.12 112.472 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.1 mt -75.15 -165.61 0.41 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.762 0.315 . . . . 73.42 110.958 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.3 p -158.32 -77.4 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 73.45 110.79 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.92 -12.66 60.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 62.23 111.056 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.8 t -60.49 -17.11 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.28 -0.418 . . . . 75.13 111.123 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.64 107.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.35 111.115 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.3 mtp 64.7 82.93 0.2 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.603 0.716 . . . . 73.03 110.899 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -24.54 29.83 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.734 2.289 . . . . 74.33 112.322 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.3 t -175.97 173.04 2.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 73.23 111.145 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -49.66 140.15 11.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 63.12 110.881 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -118.58 -17.73 9.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.895 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.05 -18.65 5.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 74.3 111.092 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 t -124.88 11.19 8.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 73.31 111.135 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -106.7 171.98 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.305 -0.407 . . . . 65.01 111.037 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 61.5 p -118.43 168.25 10.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 74.04 111.156 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.42 ' HA ' ' CZ ' ' A' ' 40' ' ' PHE . 7.6 m -53.84 -35.53 27.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 73.01 111.145 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -65.85 -39.61 90.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 72.15 110.874 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -65.15 -47.99 75.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.916 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 36.0 ttm -64.75 -41.97 95.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 73.21 110.927 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.401 ' HB1' ' HA ' ' A' ' 16' ' ' LEU . . . -68.33 -50.67 51.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 51.11 111.087 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.2 -35.79 78.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 65.21 110.883 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.54 -46.76 86.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 73.04 111.082 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 87.4 mt -70.86 -45.4 64.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 73.15 110.933 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -61.31 -33.92 74.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 73.53 110.839 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 74.45 111.027 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.839 0.352 . . . . 72.45 111.176 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.415 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -70.11 -44.2 69.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.923 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -70.8 -33.67 70.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 70.3 110.854 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.9 tt -57.08 -51.75 68.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 74.53 110.976 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.4 t -63.1 -55.33 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 73.24 111.114 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.44 -39.02 69.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 75.35 110.88 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -61.91 -58.8 6.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 72.2 110.84 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.7 mt -55.71 -42.51 75.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 63.32 110.899 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.62 -45.0 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 60.23 111.075 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.9 -48.92 76.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 74.05 111.108 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -58.59 -26.58 63.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.14 110.821 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -78.63 -18.36 54.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.946 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.76 5.59 43.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 71.34 111.158 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 63.56 64.75 0.78 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 74.31 110.929 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 34.4 mt -144.54 159.85 49.92 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.543 0.687 . . . . 74.2 110.924 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.544 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 54.1 Cg_endo -69.74 3.25 2.87 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.699 2.266 . . . . 74.21 112.331 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.544 ' HB ' ' O ' ' A' ' 30' ' ' PRO . 58.5 t 76.44 -43.25 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 74.44 111.091 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -18.8 27.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 71.02 110.865 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.2 m -91.84 -10.47 9.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 73.03 111.198 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.85 121.21 15.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 74.45 110.913 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.7 156.3 17.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.864 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -74.88 -15.17 60.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 65.14 110.893 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -110.54 18.86 19.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 70.22 110.836 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m -78.94 109.01 12.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 73.1 110.852 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -65.77 156.51 32.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 73.53 110.905 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -82.78 23.7 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.892 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 45' ' ' HIS . 13.4 mt -156.57 -39.66 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 75.33 110.858 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -65.89 -57.34 8.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 72.21 110.834 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.29 -55.69 2.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 62.21 110.932 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.2 mt -62.36 -26.63 68.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 72.21 110.862 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 41' ' ' LEU . 4.1 t60 48.79 67.44 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 72.53 110.876 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.8 106.45 9.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 73.32 110.935 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.75 162.35 1.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 74.55 110.85 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.3 p -47.68 -32.63 5.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 72.04 110.879 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 16.3 mm -75.88 -46.17 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.069 -0.514 . . . . 75.21 111.132 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.2 m -60.86 -37.18 81.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 72.31 111.105 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.8 t -63.86 -50.16 78.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 64.2 111.073 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.29 -27.72 58.18 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.685 -0.769 . . . . 74.22 112.495 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -67.25 -45.27 77.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.782 0.325 . . . . 74.34 110.885 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.98 -32.39 34.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.443 . . . . 74.45 110.876 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.9 t -58.31 -32.51 45.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 74.31 111.147 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.56 -33.57 75.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 75.14 110.871 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -71.18 -35.26 71.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 72.2 110.86 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.84 -52.56 28.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 50.11 111.074 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.82 -46.49 74.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 74.21 111.116 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -36.85 73.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 72.35 110.872 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.18 -42.89 75.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 71.44 111.129 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 85.8 mmm -71.26 -12.11 61.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 71.22 110.846 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.38 12.87 50.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.754 -0.736 . . . . 71.4 112.577 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.6 mt -78.26 -168.14 1.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 74.22 110.908 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.4 p -161.69 -74.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 72.33 110.913 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.85 -11.63 58.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 73.31 111.168 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 68' ' ' ALA . 48.1 t -62.5 -13.62 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 75.34 111.051 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 67' ' ' VAL . . . -33.47 108.46 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 73.11 111.097 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.5 mtp 66.85 84.48 0.17 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.48 0.657 . . . . 72.23 110.851 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -23.58 30.55 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.685 2.257 . . . . 74.23 112.316 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.2 t -175.8 172.8 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 75.52 111.162 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -49.62 141.0 10.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.428 . . . . 73.24 110.903 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -120.89 -18.41 7.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 72.32 110.89 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.45 -20.27 7.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 72.11 111.105 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 t -122.27 10.67 9.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 75.32 111.148 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -107.24 170.68 7.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 73.42 111.148 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.3 p -120.63 171.65 8.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 74.1 111.186 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.3 m -53.04 -36.01 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 74.13 111.137 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 -66.47 -38.73 87.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 72.54 110.87 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -66.25 -49.02 68.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 70.15 110.893 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 39.5 ttm -64.82 -42.26 95.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.874 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.415 ' HB1' ' HA ' ' A' ' 16' ' ' LEU . . . -68.64 -45.2 72.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 75.44 111.099 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.53 -42.14 95.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 75.54 110.863 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.98 99.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 43.4 111.097 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.9 mt -71.33 -44.38 65.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 65.32 110.932 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -61.91 -32.94 73.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 71.31 110.91 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.415 ' N ' ' HG3' ' A' ' 86' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 72.12 111.078 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.824 0.345 . . . . 71.13 111.106 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.27 -46.76 89.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 74.03 110.944 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -71.16 -32.93 69.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 63.12 110.895 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 tt -58.24 -52.6 64.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 73.23 110.923 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 t -65.76 -53.0 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 73.12 111.115 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -54.6 -38.93 67.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 75.23 110.852 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -66.2 -51.85 53.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 74.04 110.853 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.8 mt -61.05 -39.84 91.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 72.35 110.952 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.3 t -70.63 -48.74 56.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 73.34 111.153 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.21 -47.39 85.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 71.11 111.131 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -64.98 -28.14 69.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 75.41 110.896 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.74 -25.42 44.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 74.14 110.825 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.37 9.93 24.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 74.53 111.099 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 63.81 42.2 6.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.84 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.6 158.31 43.35 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.572 0.701 . . . . 72.5 110.942 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.66 146.04 59.55 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.7 2.266 . . . . 64.31 112.349 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.1 p -69.83 -11.99 15.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 72.54 111.136 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.89 -21.24 40.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 72.31 110.918 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 p -102.58 -1.41 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 74.04 111.169 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -68.9 117.56 10.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 70.44 110.866 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -87.71 154.15 20.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.849 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.413 ' HA ' ' CG2' ' A' ' 78' ' ' VAL . 55.6 m-20 -75.35 -15.07 60.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 64.02 110.87 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -98.82 17.83 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.864 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.93 118.48 24.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 71.35 110.876 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -94.93 143.94 26.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 72.13 110.854 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -83.28 55.7 3.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 75.12 110.895 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.432 HD21 ' O ' ' A' ' 46' ' ' MET . 0.0 OUTLIER 179.74 -41.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 74.51 110.889 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -78.14 -63.53 1.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 71.41 110.914 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.69 -63.21 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 73.22 110.815 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.4 mt -52.66 -24.63 8.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 74.42 110.869 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 61.63 18.07 9.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 75.14 110.871 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.432 ' O ' HD21 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -73.92 100.4 3.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.05 110.837 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.9 m -53.46 159.66 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 75.14 110.852 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 p -46.85 -37.13 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 73.2 110.842 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.3 mp -74.31 -40.95 50.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.166 -0.47 . . . . 74.13 111.084 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 100.0 m -64.61 -41.27 96.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 74.33 111.121 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.8 t -58.3 -49.7 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 74.02 111.145 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.46 -33.48 71.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 73.22 112.497 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -58.87 -46.05 88.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 74.33 110.888 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.92 -33.11 34.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 75.34 110.924 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.2 t -59.87 -35.63 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 71.35 111.101 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -66.64 -33.62 76.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 73.35 110.907 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -69.67 -36.14 75.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 63.13 110.828 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.83 -53.73 16.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 74.33 111.173 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.87 -44.53 39.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 73.02 111.141 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -59.39 -41.01 88.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 74.34 110.895 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.56 -38.64 77.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 74.11 111.136 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 46.9 mmm -71.47 -22.07 61.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 63.44 110.83 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.5 -11.77 21.37 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.774 -0.727 . . . . 70.14 112.515 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.5 mt -61.74 -164.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 75.1 110.926 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.6 t -168.8 -65.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 73.23 110.847 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.68 -10.42 40.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 61.44 111.103 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.464 ' O ' ' C ' ' A' ' 68' ' ' ALA . 19.1 t -64.88 -9.47 7.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 73.55 111.163 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 67' ' ' VAL . . . -32.14 108.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 62.31 111.1 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 6.8 mtp 68.13 85.36 0.14 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.562 0.696 . . . . 73.22 110.852 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 -45.96 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.633 2.222 . . . . 74.12 112.286 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.2 t -149.38 178.13 9.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.325 -0.398 . . . . 72.53 111.187 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -50.55 141.63 12.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 71.21 110.903 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.426 ' CZ ' ' HG3' ' A' ' 81' ' ' MET . 19.4 m-85 -120.94 -18.51 7.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 75.41 110.884 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.57 -19.57 16.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 72.22 111.142 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.9 t -123.79 9.36 8.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 73.41 111.178 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -106.73 153.51 22.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 74.24 111.145 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.7 p -104.31 170.93 7.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 73.14 111.104 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.42 ' HA ' ' CZ ' ' A' ' 40' ' ' PHE . 32.8 m -51.84 -36.87 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 74.3 111.135 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -65.56 -39.87 92.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 75.5 110.892 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -64.63 -49.44 71.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 72.44 110.888 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.426 ' HG3' ' CZ ' ' A' ' 73' ' ' PHE . 36.1 ttm -62.66 -38.18 89.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 64.43 110.899 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.03 -50.14 37.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 74.05 111.098 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.32 -36.22 73.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 75.14 110.934 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.2 -37.9 78.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 72.12 111.093 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.1 mt -72.9 -46.22 53.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 72.4 110.914 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -62.36 -33.58 75.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 74.4 110.86 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 73.41 111.09 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.848 0.356 . . . . 73.04 111.132 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.0 -48.14 72.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 75.23 110.948 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.53 -33.09 66.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 75.22 110.945 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.1 tt -58.13 -52.36 65.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.93 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -60.53 -55.08 26.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 71.34 111.132 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.7 mtp-105 -57.62 -38.65 75.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 72.51 110.878 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -62.5 -58.86 6.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 73.52 110.842 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mt -56.21 -45.57 79.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 72.52 110.85 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.9 t -61.72 -43.55 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 73.55 111.136 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.94 -47.84 84.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 74.2 111.044 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -60.46 -25.97 66.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 73.2 110.915 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -76.0 -22.07 56.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 74.34 110.92 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.18 7.91 45.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 71.11 111.113 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 61.84 65.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 75.3 110.839 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.6 mt -143.62 159.62 53.69 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.629 0.728 . . . . 71.31 110.92 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.543 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 53.5 Cg_endo -69.76 2.74 3.26 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.621 2.214 . . . . 74.51 112.3 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.543 ' HB ' ' O ' ' A' ' 30' ' ' PRO . 58.5 t 76.53 -42.31 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 75.23 111.133 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.402 ' H ' ' C ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -58.92 -18.13 30.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 53.21 110.922 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.4 m -91.35 -5.78 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 74.22 111.114 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.33 120.33 14.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 71.44 110.943 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -91.95 158.09 16.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 75.41 110.927 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.81 -24.88 59.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 64.32 110.897 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -104.61 18.53 22.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 75.3 110.897 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.95 110.43 8.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 73.34 110.929 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.18 159.68 30.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 74.24 110.904 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.441 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 54.4 m-85 -83.75 13.5 4.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 54.23 110.87 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 40' ' ' PHE . 1.2 mp -150.52 -42.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 71.44 110.929 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -56.93 -50.79 71.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 64.42 110.9 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.4 -52.14 2.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 75.44 110.86 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.5 mt -63.51 -24.0 67.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.986 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 48.88 56.27 7.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 74.52 110.884 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.3 mmm -114.35 126.6 55.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 74.52 110.816 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.3 m -72.67 157.97 36.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 73.14 110.85 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 p -47.46 -38.12 13.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 74.12 110.867 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.3 mp -74.72 -40.35 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 74.14 111.078 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.4 m -63.05 -38.6 91.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 64.15 111.077 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 t -61.9 -50.15 81.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 74.22 111.144 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.07 -26.55 58.59 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.811 -0.709 . . . . 74.52 112.475 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -66.09 -47.26 74.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 73.21 110.947 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.33 -32.02 29.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 74.54 110.947 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.12 -29.1 36.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 75.13 111.149 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -69.66 -33.98 73.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 73.04 110.901 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -69.58 -36.56 76.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 72.01 110.852 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.95 -52.98 57.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 50.55 111.102 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.38 -41.81 73.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 63.42 111.035 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -42.48 84.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 73.44 110.825 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.1 -40.32 78.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 75.21 111.107 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 78.6 mmm -71.6 -11.59 60.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 71.22 110.843 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.78 39.51 7.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 71.31 112.451 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.3 mt -103.44 -166.95 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 74.44 110.92 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.0 t -161.96 -76.47 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 75.32 110.928 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.28 -12.75 59.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 73.34 111.067 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.1 t -63.3 -14.35 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 74.21 111.118 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -38.19 110.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 73.42 111.066 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 66.4 80.67 0.22 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.603 0.716 . . . . 73.02 110.858 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -20.27 34.79 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.657 2.238 . . . . 71.23 112.381 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.0 t -178.15 167.33 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 74.22 111.197 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -48.41 143.36 4.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 74.25 110.892 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -123.37 -8.51 8.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 74.3 110.897 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.2 -8.15 16.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 74.2 111.086 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -136.97 9.9 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 75.14 111.127 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -102.34 -179.31 3.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 70.22 111.099 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.95 169.3 14.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 74.21 111.129 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.1 m -52.75 -37.59 25.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 72.21 111.1 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -66.28 -37.51 85.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 74.53 110.86 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -65.72 -48.54 71.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 74.54 110.877 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 23.3 ttm -65.97 -43.39 88.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 74.32 110.897 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.06 -43.26 83.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 73.34 111.061 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.87 -40.96 85.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 73.51 110.83 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.06 -47.16 87.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 73.14 111.099 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.6 mt -71.37 -36.46 71.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 75.2 110.976 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -38.12 89.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 74.43 110.918 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 74.12 111.123 179.919 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.2 ptp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.781 0.324 . . . . 65.5 110.86 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.42 -33.0 7.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 55.02 111.086 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.39 166.07 15.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 75.45 110.863 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.89 -31.66 22.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 74.12 111.075 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.62 -64.29 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.877 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.6 t70 61.86 164.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 73.33 110.89 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -47.06 153.75 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 75.12 111.125 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 64.55 -167.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 73.13 111.114 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.68 146.22 98.99 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.656 0.741 . . . . 72.45 110.871 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -49.23 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.602 2.201 . . . . 75.14 112.374 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -132.51 -84.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 53.22 111.13 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.76 -54.09 4.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 73.54 111.063 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.78 -49.14 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 71.22 111.162 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.29 116.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.728 -0.749 . . . . 62.53 112.485 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.75 -32.11 18.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.899 0.38 . . . . 61.34 111.156 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.54 -42.46 87.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.01 110.895 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -33.27 71.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 65.42 110.892 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 tt -60.28 -52.6 64.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 74.03 110.941 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -63.34 -53.21 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 71.44 111.099 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -56.24 -39.85 73.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 73.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -63.54 -55.19 25.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 75.04 110.805 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.0 mt -57.08 -36.74 70.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.302 -0.408 . . . . 75.21 110.967 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.7 t -71.78 -48.07 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 72.0 111.109 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.79 -49.68 75.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 74.33 111.055 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.86 -31.22 72.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 72.43 110.885 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -78.77 -16.59 57.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 73.51 110.96 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.19 6.13 49.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 73.44 111.078 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 70.17 35.66 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 74.02 110.827 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.5 161.7 32.64 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.646 0.736 . . . . 74.25 110.878 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 162.37 42.3 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.687 2.258 . . . . 63.33 112.342 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.0 p -82.11 -14.08 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 70.22 111.108 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.15 -19.51 43.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 72.03 110.859 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 p -102.34 -5.08 9.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 72.21 111.146 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.96 118.91 12.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 74.21 110.866 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -81.02 148.15 29.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 71.11 110.82 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.52 -22.73 60.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 73.21 110.843 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -103.18 17.65 23.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 71.24 110.841 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.5 p -80.3 111.2 16.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.914 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -68.62 156.83 37.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 75.25 110.905 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -81.7 24.9 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 71.13 110.869 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 41' ' ' LEU . 17.3 mt -160.05 -42.72 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 73.24 110.892 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -61.5 -44.07 97.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 75.4 110.831 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.59 -60.23 1.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 72.42 110.853 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.7 mt -55.21 -25.21 31.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 74.31 110.931 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.0 m80 50.23 68.22 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 75.31 110.848 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.1 105.16 9.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 71.31 110.879 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.8 m -56.14 158.23 4.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 74.34 110.878 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.6 p -47.72 -39.43 17.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 62.23 110.868 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 41.6 mm -73.8 -38.48 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 75.21 111.162 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.1 m -65.58 -42.2 92.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 75.33 111.151 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.8 t -58.41 -49.75 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 74.1 111.13 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.39 -28.29 59.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 53.4 112.488 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -65.82 -44.99 83.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.813 0.339 . . . . 64.33 110.897 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.21 -32.76 33.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 75.32 110.933 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.3 t -59.65 -36.1 63.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 72.12 111.165 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -67.18 -32.25 73.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 64.4 110.879 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -69.69 -34.49 74.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 72.45 110.918 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.76 -52.06 34.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 74.04 111.011 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.71 -40.11 59.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 72.12 111.128 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -44.65 92.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 73.31 110.848 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.25 -40.81 77.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 71.01 111.111 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 44.0 mmm -72.34 -8.33 54.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 74.01 110.881 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.82 46.75 16.47 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.713 -0.756 . . . . 73.13 112.485 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.3 mt -108.69 -163.9 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.819 0.342 . . . . 55.23 110.909 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.6 t -158.19 -76.03 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 74.44 110.826 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.49 -13.09 59.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 64.44 111.095 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 69.7 t -60.26 -17.44 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 71.4 111.097 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.51 106.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.23 111.071 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.3 mtp 64.91 84.44 0.18 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.573 0.702 . . . . 75.5 110.848 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 -37.9 8.35 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.65 2.233 . . . . 64.42 112.4 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.7 t -160.22 177.13 10.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 74.14 111.12 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -51.52 140.09 18.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 75.52 110.868 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -118.24 -15.79 9.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 63.45 110.855 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.51 -18.55 11.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 73.41 111.134 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.5 t -126.88 11.09 7.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 61.12 111.102 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.32 170.53 7.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 60.14 111.136 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.9 p -121.69 171.21 9.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 72.42 111.091 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.2 m -54.72 -37.61 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 71.5 111.059 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -64.25 -39.43 93.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 73.5 110.86 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -68.6 -48.73 63.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 55.13 110.864 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 35.1 ttm -62.27 -41.9 98.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 72.43 110.823 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.56 -42.47 78.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 74.54 111.069 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.63 -44.38 86.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 73.41 110.886 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.33 94.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 65.14 111.068 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.9 mt -70.1 -44.85 68.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 73.34 110.892 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -64.49 -32.08 73.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.935 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.402 ' N ' ' HG3' ' A' ' 86' ' ' GLU . . . -66.85 -45.98 76.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 74.1 111.082 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.94 -55.91 29.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 75.11 110.852 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -59.96 -32.99 71.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 72.44 110.86 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -61.39 -28.57 69.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 73.21 110.841 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -145.91 57.95 1.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 62.25 110.88 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -101.94 160.42 26.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.528 0.68 . . . . 71.12 111.141 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -174.54 0.93 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.662 2.242 . . . . 70.13 112.363 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -96.1 44.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 75.53 110.846 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.9 tt -110.57 155.41 22.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 74.32 110.898 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -158.12 159.92 36.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 75.21 110.803 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -167.12 163.15 15.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 74.23 110.884 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -107.86 -63.35 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 62.22 110.877 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 60.47 96.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.919 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -106.52 -171.49 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 74.41 110.88 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 62.24 94.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.898 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.9 p-80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 75.01 110.827 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpp? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.781 0.324 . . . . 74.41 110.809 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -175.31 163.14 3.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 72.31 111.089 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.25 179.71 0.78 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.468 . . . . 74.25 110.854 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.49 -29.51 61.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 64.53 111.035 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -90.7 7.25 40.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.254 -0.43 . . . . 72.5 110.93 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 49.02 -165.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 73.33 110.883 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.35 102.35 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 74.43 111.205 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 62.51 -89.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 65.34 111.045 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.08 148.04 44.17 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 74.2 110.975 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -7.41 20.99 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.718 2.279 . . . . 73.35 112.335 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 64.66 49.09 2.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 75.43 111.103 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.46 -0.08 48.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 71.21 111.104 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.3 m -43.46 -56.05 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 71.33 111.182 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 120.79 -88.61 0.43 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.774 -0.727 . . . . 74.21 112.549 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.35 -35.18 75.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.361 . . . . 73.44 111.1 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.43 -46.13 60.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 75.22 110.933 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -69.4 -33.49 73.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.35 110.842 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 tt -67.17 -52.7 38.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 73.44 110.904 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.9 t -65.19 -45.38 94.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 73.43 111.098 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.5 -39.86 94.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 74.24 110.895 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -63.61 -55.71 21.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 73.34 110.84 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.4 mt -57.37 -35.85 70.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.934 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.89 -48.26 51.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 75.22 111.164 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.72 -48.24 81.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 73.34 111.126 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.94 -28.43 69.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 73.53 110.89 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.53 -24.91 45.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 72.43 110.869 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.37 14.99 14.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 74.12 111.127 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 59.96 40.64 18.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 72.31 110.856 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.1 mt -147.58 159.32 41.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.566 0.698 . . . . 73.32 110.921 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 157.1 61.35 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.568 2.179 . . . . 74.43 112.354 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 p -77.34 -14.04 14.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 75.14 111.125 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.45 -20.53 36.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 53.12 110.881 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.1 p -101.7 -1.93 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.503 . . . . 63.04 111.064 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.31 121.01 16.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 72.41 110.882 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -79.57 146.67 32.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 75.4 110.88 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.2 -27.22 61.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 71.13 110.878 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -101.9 18.27 21.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.443 . . . . 71.14 110.881 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.26 139.32 44.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 74.24 110.928 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -94.64 156.37 16.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 70.04 110.862 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -83.41 23.56 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 74.55 110.91 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.9 mt -157.41 -41.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 75.24 110.924 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -58.28 -52.42 65.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.899 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.79 -55.94 2.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.864 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.6 mt -57.55 -25.61 60.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 72.45 110.957 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 48.37 73.46 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 73.13 110.84 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -130.27 112.26 13.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 73.03 110.9 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.6 m -60.41 160.46 8.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 72.4 110.859 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -48.53 -38.19 19.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 72.22 110.876 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.8 mm -74.47 -39.54 48.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 74.43 111.13 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.5 m -63.62 -38.44 91.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 73.24 111.155 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.1 t -63.27 -49.18 84.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 74.33 111.101 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.61 -28.45 56.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 65.23 112.46 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -66.74 -43.84 83.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.345 . . . . 75.11 110.925 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.07 -33.06 33.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 75.21 110.879 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.6 t -58.63 -35.42 55.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 75.03 111.137 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -66.83 -32.88 74.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 74.1 110.889 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 -70.44 -34.01 71.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 74.04 110.95 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.09 -51.18 49.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 71.45 111.112 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.31 -36.08 77.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 73.34 111.106 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -44.83 93.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 72.13 110.903 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.21 -37.95 78.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 71.21 111.097 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 99.6 mmm -71.84 -22.53 61.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.925 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.96 17.29 38.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 75.41 112.433 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.1 mt -75.72 -165.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 74.35 110.937 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.0 t -159.11 -76.81 0.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.24 -0.436 . . . . 74.2 110.788 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.04 -12.61 59.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 74.41 111.092 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.6 t -60.7 -16.61 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.53 111.136 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.64 106.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 75.13 111.107 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.0 mtp 64.51 82.99 0.2 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.533 0.682 . . . . 64.55 110.899 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -24.47 29.49 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.655 2.237 . . . . 63.33 112.287 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.0 t -175.79 174.98 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 51.1 111.149 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -50.07 140.24 12.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 74.24 110.947 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -119.09 -19.0 8.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 71.43 110.83 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.74 -19.09 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 71.22 111.095 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.4 t -124.34 10.98 8.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 74.54 111.138 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.38 172.67 6.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 72.25 111.06 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.8 p -120.61 168.43 11.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 70.35 111.128 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.1 m -54.24 -35.41 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 71.42 111.127 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.12 -38.88 89.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 74.13 110.891 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -67.52 -48.56 66.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 73.33 110.874 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 37.0 ttm -62.7 -43.62 98.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 72.13 110.89 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.55 -42.86 77.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 73.14 111.102 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -66.97 -36.5 82.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 62.13 110.841 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.14 91.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 72.45 111.015 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.6 mt -69.98 -44.54 69.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.413 . . . . 75.23 110.911 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -63.82 -32.5 74.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 74.15 110.93 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.401 ' N ' ' HG3' ' A' ' 86' ' ' GLU . . . -66.59 -41.57 88.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 74.52 111.151 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.55 -54.26 45.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 73.43 110.89 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -63.44 -32.68 74.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.251 -0.431 . . . . 64.04 110.896 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -61.27 -25.95 67.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 73.35 110.859 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -162.62 70.19 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 74.53 110.892 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -97.17 160.52 28.78 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 53.04 111.054 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -171.85 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.664 2.243 . . . . 62.53 112.394 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -97.52 42.09 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.422 . . . . 62.21 110.895 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.2 178.55 5.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 75.53 110.967 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -154.82 -64.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 60.13 110.902 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 62.97 96.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 74.13 110.842 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 55.99 -174.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 75.32 110.878 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -139.0 115.88 10.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 62.44 110.843 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.14 150.63 23.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 65.04 110.854 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -167.7 32.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 75.31 110.888 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 74.23 110.862 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.5 mtt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.817 0.342 . . . . 62.15 110.904 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.49 -70.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 74.4 111.04 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.79 33.38 2.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 74.45 110.806 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.15 -26.27 23.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 64.43 111.084 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.34 -72.11 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 75.21 110.874 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.6 t70 60.96 167.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 72.21 110.905 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -45.58 159.14 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 74.33 111.096 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 64.65 -161.91 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 65.31 111.053 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.39 151.33 91.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.562 0.696 . . . . 74.34 110.929 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -34.94 13.57 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.677 2.251 . . . . 64.23 112.374 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -175.65 179.0 1.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 74.52 111.095 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 13' ' ' THR . . . -82.86 0.37 44.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 64.33 111.093 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -31.41 -63.63 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 72.44 111.117 -179.835 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 110.84 -84.56 0.37 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 74.32 112.479 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.57 -39.64 94.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 44.5 111.084 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.62 -45.44 71.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 73.24 110.909 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -70.48 -33.74 71.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 63.22 110.894 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 tt -62.96 -52.76 61.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 74.51 110.953 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 t -63.09 -50.74 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 73.41 111.12 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -58.43 -39.4 79.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.828 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -63.74 -54.68 31.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 75.3 110.843 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.6 mt -56.67 -36.06 69.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 73.42 110.828 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 t -72.27 -49.48 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 72.22 111.046 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.72 -48.16 78.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 74.41 111.162 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -63.8 -26.34 68.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 73.43 110.909 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -79.19 -29.0 42.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 71.21 110.895 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.49 10.93 20.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 74.42 111.104 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 63.23 27.31 15.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 73.1 110.845 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.8 mt -128.59 157.96 73.41 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.515 0.674 . . . . 73.14 110.968 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 148.63 65.38 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.657 2.238 . . . . 71.31 112.318 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.0 p -70.96 -13.41 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 75.23 111.125 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.51 -19.92 37.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.3 110.868 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -103.6 -3.56 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 74.21 111.155 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.41 120.23 14.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 75.53 110.868 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.98 144.97 32.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 74.25 110.921 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -72.36 -26.26 61.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.34 110.92 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -98.95 17.65 19.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 63.22 110.889 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.64 131.99 39.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 72.44 110.842 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -86.04 159.03 19.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 75.52 110.794 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -86.3 23.01 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 70.14 110.839 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.0 mt -156.8 -42.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 74.44 110.884 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -60.01 -52.06 67.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.881 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.06 -58.1 2.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 71.11 110.847 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.4 mt -57.47 -24.56 56.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.926 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 37.2 t60 48.53 63.95 1.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.53 110.86 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.67 105.92 10.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 74.31 110.916 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.7 m -55.52 161.9 1.82 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 74.52 110.874 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -47.21 -39.32 13.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 74.53 110.883 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 42.5 mm -74.35 -40.66 49.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 70.41 111.096 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.8 m -62.76 -38.83 92.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 71.1 111.111 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.9 t -63.48 -49.34 83.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 72.44 111.138 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.17 -27.66 60.42 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.765 -0.731 . . . . 62.22 112.452 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -64.27 -47.73 78.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 54.41 110.932 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.13 -32.29 30.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 62.21 110.906 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.412 HG21 ' CE2' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -58.96 -28.73 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 73.54 111.138 179.809 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.406 ' N ' HG12 ' A' ' 55' ' ' VAL . 4.9 m-20 -69.31 -41.91 76.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 73.01 110.924 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -62.02 -35.61 79.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 72.05 110.883 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.24 -51.78 67.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 73.21 111.174 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.6 -35.36 74.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 75.53 111.074 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -46.02 90.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 74.14 110.868 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.45 -39.44 77.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 64.33 111.115 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 74.6 mmm -70.52 -21.62 62.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 73.43 110.874 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.64 32.85 12.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.746 . . . . 72.31 112.518 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.6 mt -91.99 -165.89 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 75.45 110.902 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.6 t -157.5 -77.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.812 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.32 -12.93 60.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.53 111.063 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.62 -16.24 14.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 62.43 111.102 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.8 107.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 74.05 111.064 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.5 mtp 65.22 81.81 0.21 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.59 0.709 . . . . 71.53 110.861 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -29.72 23.31 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.725 2.283 . . . . 74.21 112.337 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.7 t -170.7 176.7 4.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 74.34 111.132 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -50.37 143.03 9.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 72.21 110.849 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.412 ' CE2' HG21 ' A' ' 55' ' ' VAL . 32.7 m-85 -122.34 -17.58 7.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 75.43 110.929 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.22 -19.03 7.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 74.14 111.137 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 t -124.57 10.88 8.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 71.42 111.121 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.83 169.1 8.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 64.41 111.092 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 29.1 p -119.28 172.14 7.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 74.55 111.099 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.3 m -53.9 -36.82 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 64.24 111.065 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.67 -43.26 89.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 75.52 110.835 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.65 -48.66 78.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.86 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 27.5 ttm -64.08 -36.62 84.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 73.35 110.902 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.17 -51.34 39.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 62.04 111.029 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -59.84 -35.97 75.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 71.5 110.921 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.62 85.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 74.51 111.075 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 40.1 mt -72.35 -44.73 62.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 64.11 110.89 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -62.17 -36.69 82.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 74.03 110.911 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.39 -39.96 94.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 60.03 111.062 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.27 -54.92 37.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 72.5 110.791 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -59.92 -32.41 70.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 53.0 110.934 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -60.97 -26.13 67.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 74.31 110.844 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -139.39 50.92 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 72.42 110.921 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -105.23 160.48 25.85 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.568 0.699 . . . . 72.22 111.057 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -173.13 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.246 . . . . 72.11 112.321 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -103.89 47.61 0.87 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 71.13 110.84 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.51 -32.08 9.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 72.32 110.937 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -162.29 145.04 11.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 73.35 110.901 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -148.75 -53.76 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 62.54 110.901 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -111.71 130.59 55.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 62.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -173.76 125.59 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 72.4 110.883 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 27.0 p80 -174.96 143.57 0.72 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.446 . . . . 74.2 110.812 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -178.1 165.98 1.94 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 63.41 110.878 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 74.03 110.902 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.8 mtp . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.847 0.356 . . . . 74.51 110.839 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -176.52 -38.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 74.44 111.133 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.91 175.59 6.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 64.2 110.801 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.58 -24.48 45.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 73.31 111.133 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -52.53 141.71 19.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 75.13 110.891 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.76 -167.76 1.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 75.02 110.87 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.35 117.74 2.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 75.33 111.168 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 66.34 -82.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 52.33 111.111 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mp -87.46 156.01 53.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.597 0.713 . . . . 72.42 110.907 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 64.7 1.81 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.661 2.241 . . . . 74.35 112.353 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.39 71.54 4.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 73.21 111.106 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.85 -1.98 53.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 64.31 111.105 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 t -49.7 -38.07 31.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 72.31 111.153 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.17 -67.08 3.34 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.747 -0.74 . . . . 74.35 112.532 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.68 -51.01 71.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.735 0.302 . . . . 73.04 111.054 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -69.06 -34.38 75.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 74.41 110.874 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -34.34 73.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 74.31 110.843 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 tt -67.32 -52.94 34.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.88 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.8 t -63.4 -49.91 80.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 72.12 111.18 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.5 mtp180 -58.88 -39.88 82.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 73.51 110.925 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -63.99 -51.76 62.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 74.04 110.796 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.4 mt -57.79 -36.17 71.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.897 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.35 -44.94 62.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 75.23 111.094 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.82 -48.06 83.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 74.45 111.099 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -64.65 -28.52 69.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 74.45 110.909 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.74 -17.7 52.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 73.45 110.872 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.3 13.64 34.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 74.44 111.121 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 55.47 46.16 23.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 74.01 110.838 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 pp -147.61 157.14 44.96 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.63 0.728 . . . . 73.23 110.913 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 135.75 31.22 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.643 2.228 . . . . 74.33 112.367 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.01 -16.7 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 70.14 111.124 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.9 -19.66 57.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 74.42 110.947 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.4 p -104.65 -0.89 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 73.24 111.071 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -69.17 120.42 14.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.907 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -80.62 150.32 29.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.905 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.14 -25.67 60.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 73.44 110.939 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -99.9 18.25 18.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 73.24 110.845 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.1 p -72.97 122.47 21.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 72.21 110.866 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.437 ' C ' ' H ' ' A' ' 41' ' ' LEU . 5.5 mtp180 -84.62 152.24 23.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.798 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -79.54 25.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 74.43 110.867 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.437 ' H ' ' C ' ' A' ' 39' ' ' ARG . 12.8 mt -159.3 -43.24 0.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 75.21 110.889 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -57.04 -56.11 25.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 64.42 110.831 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.39 -56.18 2.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 73.54 110.869 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.1 mt -55.89 -25.52 43.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 72.05 110.92 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.0 t60 48.06 79.39 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 74.42 110.837 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -135.82 109.2 7.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 60.12 110.839 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.7 m -57.79 159.84 5.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.857 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 p -48.23 -37.85 17.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 74.54 110.772 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.3 mp -74.5 -40.66 48.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 72.24 111.156 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.5 m -62.95 -37.62 87.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 75.32 111.168 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.2 t -64.17 -49.3 81.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 71.13 111.183 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.68 -28.21 56.34 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.766 -0.731 . . . . 74.11 112.521 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -67.02 -44.54 80.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 73.14 110.94 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.94 -32.44 34.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 74.52 110.997 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.2 t -58.05 -35.05 50.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 75.25 111.141 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -66.75 -31.24 71.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 64.24 110.874 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -70.58 -34.12 71.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 75.34 110.85 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.65 -52.45 37.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 73.42 111.128 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.18 -38.15 76.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 65.13 111.125 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -42.22 94.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 72.5 110.819 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.77 -41.45 78.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 73.23 111.099 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.9 mmm -71.24 -21.52 62.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 61.54 110.894 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.98 2.37 56.04 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.757 -0.735 . . . . 71.01 112.464 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.4 mt -66.49 -163.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 73.01 110.916 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.9 p -167.0 -76.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 53.2 110.863 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.55 -12.87 61.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 75.22 111.096 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 68' ' ' ALA . 99.6 t -62.37 -15.32 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 70.53 111.112 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 67' ' ' VAL . . . -37.14 105.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.116 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.3 mtp 62.31 82.27 0.22 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 74.11 110.89 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -22.23 32.37 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.617 2.211 . . . . 72.42 112.415 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.0 t -176.49 171.33 2.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 62.53 111.179 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -48.95 139.51 10.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 73.22 110.9 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -119.16 -19.93 8.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 65.42 110.87 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.13 -19.67 5.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 73.13 111.118 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.7 t -123.38 10.89 9.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 72.44 111.119 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -107.17 173.81 6.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 53.43 111.151 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.0 p -123.71 169.5 11.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 73.43 111.115 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.5 m -52.44 -37.16 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 71.34 111.148 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.59 -38.74 92.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 74.33 110.891 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -68.47 -48.34 64.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 73.14 110.881 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 40.3 ttm -62.79 -43.47 98.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 74.32 110.874 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.92 -43.88 74.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 75.53 111.063 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.8 -40.83 89.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 71.55 110.884 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.43 -48.17 82.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 73.13 111.126 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 44.4 mt -72.16 -31.98 66.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 74.23 110.947 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.78 -47.08 87.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 63.54 110.83 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.91 -40.78 81.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 73.14 111.106 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.0 mtp85 -59.95 -54.27 48.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 75.01 110.826 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -62.93 -32.97 74.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 75.44 110.855 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -61.17 -28.63 69.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 73.11 110.855 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.47 35.99 4.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 75.31 110.877 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.32 160.44 82.52 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.614 0.721 . . . . 74.54 111.053 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 89.85 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.681 2.254 . . . . 71.13 112.319 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -120.14 177.24 5.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 65.51 110.906 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.73 -32.16 70.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.224 -0.444 . . . . 72.13 110.912 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.75 177.28 4.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 73.31 110.874 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -159.6 -73.02 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 71.42 110.887 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -76.97 135.84 38.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.938 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.52 -42.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 74.43 110.912 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -169.43 158.37 7.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 71.13 110.846 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -98.62 -29.7 12.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 72.51 110.85 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 9.7 t60 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 71.15 110.83 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.771 0.319 . . . . 75.34 110.862 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.61 116.2 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 74.23 111.116 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -151.49 163.16 39.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 75.21 110.896 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.91 -40.38 63.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 73.11 111.148 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -68.11 -14.41 62.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 74.42 110.919 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -102.5 -50.34 3.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 75.54 110.834 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.0 p -51.02 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 72.34 111.187 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -147.96 -79.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 72.11 111.091 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -87.67 122.89 70.17 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.602 0.715 . . . . 74.42 110.938 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 64.76 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.703 2.269 . . . . 73.3 112.305 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 51.48 66.99 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 72.05 111.131 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.78 -40.64 20.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 73.52 111.12 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.1 m -58.18 -64.49 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 75.41 111.158 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 122.76 -111.94 1.85 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.749 -0.738 . . . . 61.43 112.494 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.84 -43.15 90.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 72.21 111.127 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.86 -46.97 84.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 75.42 110.894 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -32.96 68.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 61.41 110.922 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tt -60.26 -53.52 56.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 73.33 110.975 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.4 t -60.91 -53.49 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 72.32 111.189 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.7 mtp85 -56.83 -38.37 72.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 75.02 110.871 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -67.47 -54.42 20.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 55.22 110.81 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.3 mt -57.28 -40.49 77.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 73.24 110.975 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 68.7 t -72.02 -48.61 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 75.53 111.117 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.45 -48.37 74.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 71.41 111.121 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.45 -25.11 67.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 64.33 110.857 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.47 -25.44 50.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.87 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.44 11.12 24.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 70.44 111.085 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.77 39.34 6.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 72.44 110.89 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.27 159.45 42.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.635 0.731 . . . . 74.11 110.877 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 156.26 63.61 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.717 2.278 . . . . 70.23 112.299 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.0 p -74.51 -6.27 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 71.13 111.163 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.26 -24.38 37.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 74.13 110.885 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.4 m -92.52 -12.35 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 72.41 111.146 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.83 121.44 17.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 75.22 110.947 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -99.61 157.14 16.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 64.14 110.897 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -72.1 -15.36 62.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.909 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -108.56 17.64 21.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 73.44 110.891 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.44 94.11 8.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 75.42 110.901 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -50.73 160.39 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 75.43 110.895 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.503 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 65.1 m-85 -83.15 18.42 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.927 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 40' ' ' PHE . 1.0 OUTLIER -152.7 -32.42 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 74.43 110.92 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -74.01 -61.88 1.7 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 71.44 110.867 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.39 0.89 31.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.163 -0.471 . . . . 64.12 110.853 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.408 ' CD1' ' HA ' ' A' ' 40' ' ' PHE . 96.2 mt -121.2 -24.64 5.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 74.21 110.9 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 47.03 50.29 14.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 62.45 110.853 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.1 mmm -107.7 127.57 53.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 73.35 110.943 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.8 m -72.3 154.34 41.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 73.44 110.841 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 p -47.37 -38.64 13.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 63.32 110.877 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.9 mm -74.17 -42.0 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 70.41 111.166 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 82.3 m -60.73 -37.04 80.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 70.14 111.16 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.1 t -61.86 -49.79 82.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 71.24 111.108 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.55 -26.85 60.3 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.739 -0.744 . . . . 60.2 112.503 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -65.95 -46.91 76.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 55.21 110.897 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.48 -31.96 29.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 74.51 110.939 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -58.06 -28.56 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 75.22 111.171 179.779 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.406 ' N ' HG12 ' A' ' 55' ' ' VAL . 1.2 m-80 -69.9 -39.0 76.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 71.22 110.835 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -61.38 -34.9 76.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 74.51 110.941 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.59 -52.62 50.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 72.24 111.113 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.11 -39.26 59.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 63.24 111.148 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -44.73 94.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 70.32 110.889 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.2 -42.49 75.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 74.3 111.137 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 65.7 mmm -71.61 -9.17 57.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 72.51 110.953 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.3 50.76 20.26 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 74.43 112.415 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.0 mt -108.92 -164.44 0.94 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.848 0.356 . . . . 74.11 110.911 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.0 t -157.73 -75.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.924 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.39 -13.87 59.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 63.31 111.081 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.0 t -61.57 -16.88 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 74.32 111.105 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -43.79 106.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 52.24 111.122 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.0 mtp 65.85 82.65 0.2 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.601 0.715 . . . . 73.35 110.856 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -31.65 20.2 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.655 2.237 . . . . 74.43 112.356 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.8 t -168.68 174.58 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 74.34 111.135 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -50.02 143.51 7.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 74.52 110.897 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -122.64 -6.29 8.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 62.51 110.9 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.416 ' HA ' HD13 ' A' ' 41' ' ' LEU . . . -68.24 -5.92 20.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 75.05 111.12 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 t -137.97 10.12 2.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 75.33 111.106 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.91 173.83 6.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 73.3 111.066 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.6 p -119.74 168.37 11.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 65.24 111.215 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.412 ' HA ' ' CZ ' ' A' ' 40' ' ' PHE . 5.5 m -53.14 -36.09 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 74.4 111.136 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -67.16 -39.33 86.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 72.4 110.858 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -64.08 -48.68 75.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 74.53 110.84 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 25.0 ttm -63.18 -40.63 98.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 73.44 110.914 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.98 -49.58 56.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 63.44 111.065 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -59.37 -36.06 75.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 71.32 110.873 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.64 -40.57 73.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 71.44 111.105 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.5 mt -71.07 -45.02 64.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 64.23 110.893 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -64.13 -33.53 76.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 74.42 110.929 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.76 -47.92 73.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 74.23 111.092 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -57.44 -62.08 2.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 75.33 110.908 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.28 -33.1 62.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 75.12 110.865 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -32.27 73.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.859 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -95.39 -19.32 20.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 74.13 110.963 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.26 161.13 28.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.529 0.68 . . . . 72.33 111.073 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 97.0 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.643 2.229 . . . . 64.34 112.357 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -61.15 170.41 1.67 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 73.34 110.851 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.57 -173.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 73.21 110.932 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.25 91.66 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 62.41 110.947 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -174.44 164.27 3.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 74.03 110.822 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -145.31 130.67 18.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.819 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -166.54 114.72 0.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 74.25 110.924 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 62.28 171.71 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 75.22 110.922 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -90.43 176.31 6.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 75.41 110.879 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.414 . . . . 71.21 110.855 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.818 0.342 . . . . 74.43 110.848 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.73 103.79 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 74.32 111.09 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -132.22 171.9 13.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 74.51 110.875 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.34 -29.07 63.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 75.21 111.102 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -78.9 144.35 34.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 74.12 110.86 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -97.12 -168.75 1.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 65.43 110.819 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.16 124.2 11.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 73.13 111.188 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 65.62 -84.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 64.2 111.064 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 mp -86.8 160.81 49.18 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.645 0.736 . . . . 72.21 110.874 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 168.93 20.13 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.748 2.299 . . . . 62.42 112.354 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -118.75 23.57 11.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 73.4 111.078 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.83 -2.31 54.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 73.14 111.114 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.2 t -50.84 -44.27 59.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 72.43 111.191 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.42 -80.1 0.29 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.795 -0.717 . . . . 63.42 112.512 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.48 -52.63 64.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.756 0.312 . . . . 74.12 111.069 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.36 -40.98 79.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 75.11 110.936 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -34.15 70.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.155 -0.475 . . . . 64.21 110.883 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.69 -53.92 51.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 71.35 110.963 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.9 t -65.32 -51.57 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 74.34 111.158 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -55.49 -38.35 69.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 73.01 110.896 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -65.89 -59.46 3.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.895 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.1 mt -57.04 -36.54 70.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 73.3 110.861 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 t -71.46 -48.92 50.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 74.41 111.134 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.8 -46.67 89.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 75.33 111.132 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.19 -25.62 68.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 71.13 110.876 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -78.47 -28.6 46.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.791 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.33 9.08 24.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 73.24 111.029 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 64.26 44.84 4.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 63.43 110.87 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.91 159.72 39.69 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.6 0.714 . . . . 74.42 110.901 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 143.59 51.66 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.69 2.26 . . . . 75.32 112.381 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.4 p -68.64 -11.86 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 72.32 111.141 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.5 -21.02 38.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.2 110.91 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 p -101.12 -3.19 9.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 74.14 111.114 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.96 118.15 11.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 73.04 110.933 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.6 mtp85 -91.11 157.11 17.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 75.32 110.91 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -75.47 -14.63 60.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 73.41 110.892 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -97.53 -6.81 32.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.819 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.74 107.82 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 64.21 110.841 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -73.74 162.05 29.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 72.52 110.856 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.402 ' CZ ' ' HA ' ' A' ' 78' ' ' VAL . 39.8 m-85 -84.54 24.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 74.41 110.875 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.427 ' HA ' ' HA ' ' A' ' 45' ' ' HIS . 12.6 mt -157.78 -39.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 72.32 110.942 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.23 -57.48 11.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 75.11 110.906 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.99 -56.95 2.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 60.12 110.878 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.1 mt -58.69 -27.31 64.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 74.04 110.895 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 41' ' ' LEU . 5.7 t-160 49.52 74.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.895 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.46 113.45 13.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 65.31 110.895 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.1 m -58.74 160.15 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.853 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 p -47.9 -39.45 18.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 73.1 110.834 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 41.7 mm -74.83 -37.83 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 71.42 111.148 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.3 m -64.9 -38.49 91.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 71.11 111.14 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.5 t -63.59 -47.76 89.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 73.41 111.152 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.34 -27.88 63.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 62.51 112.482 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -47.48 81.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 75.34 110.916 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.98 -32.33 30.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 75.11 110.916 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -58.55 -28.79 37.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 73.5 111.173 179.755 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.41 ' N ' HG12 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -69.8 -40.42 75.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 74.51 110.886 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -61.63 -36.0 79.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 72.34 110.815 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.73 -51.4 62.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 65.15 111.119 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.4 -38.37 66.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 55.5 111.151 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -59.64 -44.19 93.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.87 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.05 -41.56 77.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 71.2 111.063 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 68.8 mmm -72.05 -8.12 52.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 74.31 110.909 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.52 48.32 30.22 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.785 -0.721 . . . . 74.41 112.521 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.4 mt -107.02 -164.29 0.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 70.32 110.927 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.2 t -158.91 -75.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 71.54 110.885 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.97 -13.09 60.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 74.21 111.089 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.7 t -60.69 -17.16 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.416 . . . . 74.31 111.081 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.14 106.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 75.15 111.053 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.5 mtp 64.79 81.21 0.22 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.57 0.7 . . . . 74.22 110.845 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 -25.3 29.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.639 2.226 . . . . 71.35 112.39 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.3 t -175.12 173.38 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 75.14 111.237 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -49.42 141.83 8.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 74.54 110.855 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.407 ' CE2' HG21 ' A' ' 55' ' ' VAL . 35.8 m-85 -120.83 -19.85 7.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 75.5 110.845 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.39 -19.56 5.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 70.53 111.099 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 t -122.92 10.63 9.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 74.02 111.161 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.24 176.69 5.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 73.15 111.115 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.9 p -124.84 169.87 11.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 75.33 111.045 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.402 ' HA ' ' CZ ' ' A' ' 40' ' ' PHE . 3.5 m -53.57 -36.78 29.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 72.1 111.087 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -67.09 -38.3 85.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 72.15 110.862 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -65.11 -48.73 72.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 72.53 110.885 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 29.0 ttm -65.39 -39.86 92.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 73.42 110.85 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.34 -49.46 55.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 54.32 111.089 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -59.85 -36.63 77.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.294 -0.412 . . . . 75.25 110.864 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.17 -43.99 85.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 64.25 111.14 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.4 mt -71.8 -42.16 67.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.901 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.18 -31.1 70.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 63.23 110.847 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.26 -36.54 84.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 64.25 111.14 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -60.45 -59.88 4.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 75.2 110.923 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -63.72 -32.93 74.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 72.12 110.906 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -24.12 66.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 75.11 110.82 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -100.25 -32.63 10.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 74.45 110.864 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.63 160.45 1.04 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.541 0.686 . . . . 72.43 111.122 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -8.96 24.92 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.631 2.221 . . . . 72.31 112.317 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 20.2 m80 63.43 105.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 64.11 110.791 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.2 tp -99.99 -178.39 3.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 71.53 110.881 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -70.9 133.72 46.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 52.51 110.893 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 54.0 m170 53.97 85.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 75.02 110.879 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -115.51 -31.16 5.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.417 . . . . 70.21 110.866 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -102.01 151.74 21.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 65.31 110.838 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.09 -63.37 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 71.23 110.826 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -110.73 167.68 10.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 73.53 110.833 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 20.8 p80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 74.55 110.862 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.756 0.313 . . . . 72.41 110.874 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.86 175.88 13.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 73.13 111.192 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -109.13 25.14 12.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 72.23 110.905 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.69 -24.88 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 65.12 111.12 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.2 p30 -88.73 64.0 7.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 72.21 110.854 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -60.71 -169.22 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 51.15 110.867 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -69.92 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 74.32 111.104 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.34 164.98 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 71.54 111.09 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.7 tp -66.36 123.53 85.71 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.625 0.726 . . . . 75.42 110.882 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -8.51 23.78 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 72.22 112.338 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.03 121.25 17.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 73.33 111.124 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.89 -1.02 50.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 51.35 111.117 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 t -47.62 -40.41 19.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 73.24 111.153 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.17 -71.82 2.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.822 -0.704 . . . . 64.3 112.46 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.51 -55.16 38.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 72.21 111.132 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.401 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -59.35 -38.86 81.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 73.4 110.955 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -32.9 71.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 72.45 110.918 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 tt -61.54 -53.41 56.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 73.34 110.963 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.8 t -62.52 -53.59 45.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 74.12 111.119 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -55.46 -39.36 70.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 73.52 110.88 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -64.52 -50.6 66.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.133 -0.485 . . . . 74.04 110.842 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.5 mt -57.16 -41.48 79.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.898 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.4 t -67.0 -49.18 76.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 75.11 111.069 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.79 -48.91 76.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 64.32 111.113 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -64.73 -28.23 69.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 75.53 110.857 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -78.95 -16.12 57.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 73.43 110.808 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.25 9.82 42.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 75.14 111.153 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 65.49 37.16 6.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 73.02 110.821 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.74 159.86 39.79 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.579 0.704 . . . . 72.12 110.925 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 157.12 61.39 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.659 2.239 . . . . 73.12 112.345 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.6 p -74.99 -5.63 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 72.35 111.175 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.8 -25.55 32.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 72.11 110.951 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.3 m -92.54 -8.31 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 73.52 111.074 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.78 127.19 32.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 73.45 110.949 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.6 155.2 18.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 74.51 110.884 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -73.18 -14.62 61.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 73.42 110.839 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -100.19 -6.59 25.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 73.4 110.816 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.49 112.47 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 51.14 110.943 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.44 ' C ' ' H ' ' A' ' 41' ' ' LEU . 5.0 mtp180 -77.6 157.44 30.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 72.32 110.919 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 78' ' ' VAL . 45.4 m-85 -78.85 22.29 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 74.11 110.922 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.441 ' HA ' ' HA ' ' A' ' 45' ' ' HIS . 13.6 mt -158.84 -40.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 72.01 110.972 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -57.47 -53.7 55.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 73.2 110.831 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.62 -51.47 2.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 75.51 110.82 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.8 mt -60.06 -25.06 65.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 75.23 110.98 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 41' ' ' LEU . 23.7 t-160 47.37 82.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 74.1 110.902 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.7 mtp -138.12 116.94 12.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 73.03 110.871 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.6 m -61.38 155.57 21.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 62.41 110.841 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.74 -37.58 19.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 74.11 110.877 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.1 mm -73.88 -41.2 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 71.21 111.188 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.7 m -61.83 -35.05 77.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 73.03 111.173 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.6 t -65.97 -50.86 66.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 73.2 111.099 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.45 -28.03 58.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.795 -0.717 . . . . 64.12 112.445 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -62.72 -46.97 85.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 72.43 110.947 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.34 -31.91 29.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 74.21 110.916 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.9 t -56.44 -33.94 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 72.34 111.123 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -67.44 -34.42 77.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 75.34 110.859 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -71.32 -34.06 70.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 74.53 110.899 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.39 -51.18 64.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 72.42 111.084 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.72 -36.15 80.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.282 -0.417 . . . . 63.22 111.169 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -43.54 94.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 70.13 110.829 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.99 -38.99 79.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 53.14 111.089 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 93.6 mmm -71.51 -22.74 61.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 72.53 110.931 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.29 14.41 41.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.747 . . . . 74.12 112.472 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.1 mt -75.15 -165.61 0.41 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.762 0.315 . . . . 73.42 110.958 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.3 p -158.32 -77.4 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 73.45 110.79 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.92 -12.66 60.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 62.23 111.056 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.8 t -60.49 -17.11 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.28 -0.418 . . . . 75.13 111.123 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.64 107.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.35 111.115 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.3 mtp 64.7 82.93 0.2 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.603 0.716 . . . . 73.03 110.899 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -24.54 29.83 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.734 2.289 . . . . 74.33 112.322 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.3 t -175.97 173.04 2.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 73.23 111.145 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -49.66 140.15 11.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 63.12 110.881 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -118.58 -17.73 9.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.895 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.05 -18.65 5.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 74.3 111.092 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 t -124.88 11.19 8.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 73.31 111.135 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -106.7 171.98 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.305 -0.407 . . . . 65.01 111.037 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 61.5 p -118.43 168.25 10.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 74.04 111.156 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.42 ' HA ' ' CZ ' ' A' ' 40' ' ' PHE . 7.6 m -53.84 -35.53 27.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 73.01 111.145 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -65.85 -39.61 90.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 72.15 110.874 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -65.15 -47.99 75.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.916 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 36.0 ttm -64.75 -41.97 95.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 73.21 110.927 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.401 ' HB1' ' HA ' ' A' ' 16' ' ' LEU . . . -68.33 -50.67 51.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 51.11 111.087 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.2 -35.79 78.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 65.21 110.883 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.54 -46.76 86.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 73.04 111.082 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 87.4 mt -70.86 -45.4 64.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 73.15 110.933 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -61.31 -33.92 74.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 73.53 110.839 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.88 -37.76 86.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 74.45 111.027 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.9 mtp85 -64.39 -54.54 31.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 74.24 110.892 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -66.51 -32.62 74.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 73.1 110.841 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -61.29 -23.15 65.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 73.42 110.83 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -102.85 -27.8 12.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 71.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.89 160.43 1.14 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.619 0.724 . . . . 74.33 111.081 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 97.92 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.704 2.269 . . . . 71.11 112.343 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -161.79 168.58 22.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 74.03 110.853 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.05 111.28 0.81 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 75.12 110.865 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -141.29 -179.13 5.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 72.53 110.875 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -86.3 177.69 7.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 54.44 110.904 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.53 -179.26 4.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 74.4 110.866 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -111.04 131.52 54.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 72.41 110.911 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -132.17 144.27 50.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.859 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 5.5 t60 62.53 101.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 72.35 110.839 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 15.7 t-160 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 75.32 110.86 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mtt . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.826 0.346 . . . . 71.14 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.26 87.47 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 71.13 111.065 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -87.32 56.27 3.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 74.5 110.884 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.12 -26.4 26.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 72.41 111.014 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.68 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 72.03 110.909 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.6 t0 51.59 67.01 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 74.0 110.813 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 55.52 -179.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 55.5 111.085 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 50.34 -168.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.166 -0.47 . . . . 60.05 111.075 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.7 mp -65.99 123.67 85.66 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.654 0.74 . . . . 72.03 110.864 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -33.94 15.47 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.699 2.266 . . . . 72.23 112.34 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -148.28 135.54 20.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 75.11 111.16 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.03 0.34 45.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 73.14 111.067 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.6 m -43.58 -38.5 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.301 -0.409 . . . . 71.45 111.15 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.38 -78.51 0.84 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.682 -0.771 . . . . 33.22 112.568 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.05 -39.5 93.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.839 0.352 . . . . 72.45 111.176 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.415 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -70.11 -44.2 69.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.923 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -70.8 -33.67 70.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 70.3 110.854 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.9 tt -57.08 -51.75 68.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 74.53 110.976 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.4 t -63.1 -55.33 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 73.24 111.114 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.44 -39.02 69.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 75.35 110.88 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -61.91 -58.8 6.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 72.2 110.84 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.7 mt -55.71 -42.51 75.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 63.32 110.899 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.62 -45.0 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 60.23 111.075 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.9 -48.92 76.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 74.05 111.108 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -58.59 -26.58 63.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.14 110.821 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -78.63 -18.36 54.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.946 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.76 5.59 43.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 71.34 111.158 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 63.56 64.75 0.78 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 74.31 110.929 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 34.4 mt -144.54 159.85 49.92 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.543 0.687 . . . . 74.2 110.924 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.544 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 54.1 Cg_endo -69.74 3.25 2.87 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.699 2.266 . . . . 74.21 112.331 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.544 ' HB ' ' O ' ' A' ' 30' ' ' PRO . 58.5 t 76.44 -43.25 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 74.44 111.091 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -18.8 27.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 71.02 110.865 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.2 m -91.84 -10.47 9.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 73.03 111.198 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.85 121.21 15.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 74.45 110.913 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.7 156.3 17.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.864 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -74.88 -15.17 60.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 65.14 110.893 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -110.54 18.86 19.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 70.22 110.836 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m -78.94 109.01 12.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 73.1 110.852 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -65.77 156.51 32.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 73.53 110.905 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -82.78 23.7 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.892 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 45' ' ' HIS . 13.4 mt -156.57 -39.66 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 75.33 110.858 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -65.89 -57.34 8.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 72.21 110.834 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.29 -55.69 2.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 62.21 110.932 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.2 mt -62.36 -26.63 68.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 72.21 110.862 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 41' ' ' LEU . 4.1 t60 48.79 67.44 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 72.53 110.876 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.8 106.45 9.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 73.32 110.935 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.75 162.35 1.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 74.55 110.85 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.3 p -47.68 -32.63 5.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 72.04 110.879 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 16.3 mm -75.88 -46.17 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.069 -0.514 . . . . 75.21 111.132 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.2 m -60.86 -37.18 81.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 72.31 111.105 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.8 t -63.86 -50.16 78.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 64.2 111.073 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.29 -27.72 58.18 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.685 -0.769 . . . . 74.22 112.495 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -67.25 -45.27 77.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.782 0.325 . . . . 74.34 110.885 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.98 -32.39 34.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.443 . . . . 74.45 110.876 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.9 t -58.31 -32.51 45.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 74.31 111.147 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.56 -33.57 75.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 75.14 110.871 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -71.18 -35.26 71.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 72.2 110.86 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.84 -52.56 28.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 50.11 111.074 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.82 -46.49 74.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 74.21 111.116 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -36.85 73.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 72.35 110.872 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.18 -42.89 75.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 71.44 111.129 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 85.8 mmm -71.26 -12.11 61.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 71.22 110.846 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.38 12.87 50.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.754 -0.736 . . . . 71.4 112.577 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.6 mt -78.26 -168.14 1.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 74.22 110.908 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.4 p -161.69 -74.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 72.33 110.913 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.85 -11.63 58.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 73.31 111.168 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 68' ' ' ALA . 48.1 t -62.5 -13.62 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 75.34 111.051 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 67' ' ' VAL . . . -33.47 108.46 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 73.11 111.097 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.5 mtp 66.85 84.48 0.17 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.48 0.657 . . . . 72.23 110.851 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -23.58 30.55 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.685 2.257 . . . . 74.23 112.316 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.2 t -175.8 172.8 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 75.52 111.162 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -49.62 141.0 10.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.428 . . . . 73.24 110.903 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -120.89 -18.41 7.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 72.32 110.89 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.45 -20.27 7.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 72.11 111.105 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 t -122.27 10.67 9.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 75.32 111.148 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -107.24 170.68 7.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 73.42 111.148 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.3 p -120.63 171.65 8.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 74.1 111.186 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.3 m -53.04 -36.01 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 74.13 111.137 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 -66.47 -38.73 87.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 72.54 110.87 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -66.25 -49.02 68.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 70.15 110.893 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 39.5 ttm -64.82 -42.26 95.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.874 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.415 ' HB1' ' HA ' ' A' ' 16' ' ' LEU . . . -68.64 -45.2 72.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 75.44 111.099 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.53 -42.14 95.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 75.54 110.863 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.98 99.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 43.4 111.097 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.9 mt -71.33 -44.38 65.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 65.32 110.932 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -61.91 -32.94 73.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 71.31 110.91 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.415 ' N ' ' HG3' ' A' ' 86' ' ' GLU . . . -66.64 -37.6 85.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 72.12 111.078 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.41 -56.13 25.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.892 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.75 -32.82 73.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 72.11 110.905 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.1 ttt85 -61.32 -31.72 71.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 75.12 110.874 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -119.69 29.44 7.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 74.12 110.877 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.02 160.55 82.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.731 . . . . 61.31 111.121 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 160.8 48.36 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.679 2.253 . . . . 74.55 112.312 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.2 m80 59.04 72.75 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 75.01 110.884 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.42 179.58 4.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 72.43 110.939 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.1 96.98 6.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 65.15 110.937 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -134.7 -175.68 3.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 75.14 110.922 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -134.93 89.17 2.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 73.03 110.856 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -155.34 158.25 38.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.285 -0.416 . . . . 74.11 110.93 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -99.64 28.17 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 75.22 110.93 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -120.63 174.09 6.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 73.31 110.874 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 74.54 110.878 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 mtt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.806 0.336 . . . . 74.51 110.849 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -169.06 -169.87 1.04 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 75.33 111.079 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.07 24.84 1.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 74.44 110.889 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.39 -26.64 22.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 71.35 111.114 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -103.38 15.01 30.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 70.41 110.843 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -64.99 91.9 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 71.23 110.819 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 55.77 178.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 62.0 111.134 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 49.72 -166.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 72.01 111.123 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 pp -65.5 122.78 82.12 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.641 0.734 . . . . 73.32 110.885 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -49.05 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.241 . . . . 73.42 112.348 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 179.93 -162.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 62.24 111.112 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.54 ' O ' ' C ' ' A' ' 13' ' ' THR . . . -75.48 -0.69 21.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 73.01 111.13 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.54 ' C ' ' O ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -25.66 -69.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 75.25 111.132 -179.846 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.64 -100.47 2.6 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.709 -0.758 . . . . 75.3 112.451 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.43 99.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 71.13 111.106 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.27 -46.76 89.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 74.03 110.944 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -71.16 -32.93 69.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 63.12 110.895 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 tt -58.24 -52.6 64.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 73.23 110.923 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 t -65.76 -53.0 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 73.12 111.115 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -54.6 -38.93 67.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 75.23 110.852 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -66.2 -51.85 53.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 74.04 110.853 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.8 mt -61.05 -39.84 91.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 72.35 110.952 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.3 t -70.63 -48.74 56.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 73.34 111.153 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.21 -47.39 85.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 71.11 111.131 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -64.98 -28.14 69.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 75.41 110.896 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.74 -25.42 44.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 74.14 110.825 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.37 9.93 24.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 74.53 111.099 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 63.81 42.2 6.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.84 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.6 158.31 43.35 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.572 0.701 . . . . 72.5 110.942 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.66 146.04 59.55 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.7 2.266 . . . . 64.31 112.349 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.1 p -69.83 -11.99 15.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 72.54 111.136 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.89 -21.24 40.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 72.31 110.918 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 p -102.58 -1.41 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 74.04 111.169 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -68.9 117.56 10.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 70.44 110.866 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -87.71 154.15 20.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.849 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.413 ' HA ' ' CG2' ' A' ' 78' ' ' VAL . 55.6 m-20 -75.35 -15.07 60.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 64.02 110.87 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -98.82 17.83 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.864 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.93 118.48 24.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 71.35 110.876 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -94.93 143.94 26.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 72.13 110.854 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -83.28 55.7 3.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 75.12 110.895 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.432 HD21 ' O ' ' A' ' 46' ' ' MET . 0.0 OUTLIER 179.74 -41.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 74.51 110.889 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -78.14 -63.53 1.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 71.41 110.914 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.69 -63.21 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 73.22 110.815 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.4 mt -52.66 -24.63 8.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 74.42 110.869 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 61.63 18.07 9.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 75.14 110.871 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.432 ' O ' HD21 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -73.92 100.4 3.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.05 110.837 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.9 m -53.46 159.66 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 75.14 110.852 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 p -46.85 -37.13 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 73.2 110.842 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.3 mp -74.31 -40.95 50.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.166 -0.47 . . . . 74.13 111.084 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 100.0 m -64.61 -41.27 96.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 74.33 111.121 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.8 t -58.3 -49.7 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 74.02 111.145 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.46 -33.48 71.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 73.22 112.497 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -58.87 -46.05 88.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 74.33 110.888 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.92 -33.11 34.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 75.34 110.924 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.2 t -59.87 -35.63 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 71.35 111.101 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -66.64 -33.62 76.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 73.35 110.907 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -69.67 -36.14 75.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 63.13 110.828 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.83 -53.73 16.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 74.33 111.173 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.87 -44.53 39.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 73.02 111.141 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -59.39 -41.01 88.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 74.34 110.895 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.56 -38.64 77.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 74.11 111.136 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 46.9 mmm -71.47 -22.07 61.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 63.44 110.83 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.5 -11.77 21.37 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.774 -0.727 . . . . 70.14 112.515 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.5 mt -61.74 -164.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 75.1 110.926 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.6 t -168.8 -65.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 73.23 110.847 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.68 -10.42 40.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 61.44 111.103 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.464 ' O ' ' C ' ' A' ' 68' ' ' ALA . 19.1 t -64.88 -9.47 7.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 73.55 111.163 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 67' ' ' VAL . . . -32.14 108.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 62.31 111.1 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 6.8 mtp 68.13 85.36 0.14 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.562 0.696 . . . . 73.22 110.852 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 -45.96 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.633 2.222 . . . . 74.12 112.286 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.2 t -149.38 178.13 9.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.325 -0.398 . . . . 72.53 111.187 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -50.55 141.63 12.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 71.21 110.903 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.426 ' CZ ' ' HG3' ' A' ' 81' ' ' MET . 19.4 m-85 -120.94 -18.51 7.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 75.41 110.884 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.57 -19.57 16.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 72.22 111.142 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.9 t -123.79 9.36 8.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 73.41 111.178 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -106.73 153.51 22.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 74.24 111.145 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.7 p -104.31 170.93 7.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 73.14 111.104 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.42 ' HA ' ' CZ ' ' A' ' 40' ' ' PHE . 32.8 m -51.84 -36.87 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 74.3 111.135 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -65.56 -39.87 92.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 75.5 110.892 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -64.63 -49.44 71.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 72.44 110.888 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.426 ' HG3' ' CZ ' ' A' ' 73' ' ' PHE . 36.1 ttm -62.66 -38.18 89.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 64.43 110.899 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.03 -50.14 37.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 74.05 111.098 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.32 -36.22 73.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 75.14 110.934 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.2 -37.9 78.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 72.12 111.093 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.1 mt -72.9 -46.22 53.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 72.4 110.914 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -62.36 -33.58 75.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 74.4 110.86 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.82 -34.63 78.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 73.41 111.09 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.16 -57.72 8.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 71.31 110.904 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -61.5 -31.98 71.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 75.42 110.88 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -62.76 -24.99 67.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 74.43 110.848 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -102.17 -22.94 14.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.925 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.57 160.45 1.02 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.599 0.714 . . . . 61.01 111.059 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 122.05 8.75 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.727 2.285 . . . . 73.41 112.36 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 25.5 p-80 -147.63 -170.38 3.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.867 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.9 mt -54.47 165.48 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 73.15 110.868 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.01 125.83 16.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 53.51 110.928 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -173.35 -58.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 74.31 110.9 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -145.9 -176.91 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 71.22 110.871 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 43.0 p-80 -158.55 140.38 13.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 74.22 110.827 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.22 130.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 73.32 110.892 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -88.38 -63.76 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 75.44 110.954 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 2.9 t60 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 72.25 110.81 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 mmt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.75 0.31 . . . . 73.33 110.944 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -174.86 -169.18 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 73.42 111.142 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 62.55 82.16 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 74.2 110.858 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.93 -20.44 56.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.33 111.099 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -63.79 -16.25 60.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 71.3 110.894 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -51.76 169.96 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 64.42 110.89 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 50.7 89.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.415 . . . . 71.21 111.077 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 65.24 -168.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 61.55 111.073 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.5 mp -66.13 152.48 93.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 74.25 110.927 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 142.8 48.79 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.708 2.272 . . . . 74.22 112.344 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 51.21 72.05 0.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 73.55 111.084 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.91 -27.11 49.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 75.01 111.139 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.9 m -129.48 -50.21 1.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 70.21 111.154 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.02 -94.67 0.59 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.724 . . . . 70.14 112.502 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.94 -32.91 74.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 73.04 111.132 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.0 -48.14 72.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 75.23 110.948 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.53 -33.09 66.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 75.22 110.945 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.1 tt -58.13 -52.36 65.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.93 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -60.53 -55.08 26.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 71.34 111.132 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.7 mtp-105 -57.62 -38.65 75.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 72.51 110.878 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -62.5 -58.86 6.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 73.52 110.842 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mt -56.21 -45.57 79.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 72.52 110.85 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.9 t -61.72 -43.55 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 73.55 111.136 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.94 -47.84 84.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 74.2 111.044 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -60.46 -25.97 66.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 73.2 110.915 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -76.0 -22.07 56.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 74.34 110.92 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.18 7.91 45.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 71.11 111.113 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 61.84 65.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 75.3 110.839 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.6 mt -143.62 159.62 53.69 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.629 0.728 . . . . 71.31 110.92 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.543 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 53.5 Cg_endo -69.76 2.74 3.26 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.621 2.214 . . . . 74.51 112.3 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.543 ' HB ' ' O ' ' A' ' 30' ' ' PRO . 58.5 t 76.53 -42.31 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 75.23 111.133 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.402 ' H ' ' C ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -58.92 -18.13 30.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 53.21 110.922 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.4 m -91.35 -5.78 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 74.22 111.114 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.33 120.33 14.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 71.44 110.943 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -91.95 158.09 16.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 75.41 110.927 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.81 -24.88 59.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 64.32 110.897 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -104.61 18.53 22.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 75.3 110.897 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.95 110.43 8.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 73.34 110.929 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.18 159.68 30.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 74.24 110.904 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.441 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 54.4 m-85 -83.75 13.5 4.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 54.23 110.87 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 40' ' ' PHE . 1.2 mp -150.52 -42.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 71.44 110.929 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -56.93 -50.79 71.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 64.42 110.9 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.4 -52.14 2.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 75.44 110.86 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.5 mt -63.51 -24.0 67.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.986 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 48.88 56.27 7.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 74.52 110.884 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.3 mmm -114.35 126.6 55.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 74.52 110.816 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.3 m -72.67 157.97 36.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 73.14 110.85 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 p -47.46 -38.12 13.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 74.12 110.867 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.3 mp -74.72 -40.35 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 74.14 111.078 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.4 m -63.05 -38.6 91.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 64.15 111.077 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 t -61.9 -50.15 81.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 74.22 111.144 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.07 -26.55 58.59 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.811 -0.709 . . . . 74.52 112.475 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -66.09 -47.26 74.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 73.21 110.947 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.33 -32.02 29.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 74.54 110.947 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.12 -29.1 36.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 75.13 111.149 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -69.66 -33.98 73.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 73.04 110.901 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -69.58 -36.56 76.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 72.01 110.852 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.95 -52.98 57.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 50.55 111.102 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.38 -41.81 73.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 63.42 111.035 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -42.48 84.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 73.44 110.825 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.1 -40.32 78.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 75.21 111.107 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 78.6 mmm -71.6 -11.59 60.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 71.22 110.843 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.78 39.51 7.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 71.31 112.451 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.3 mt -103.44 -166.95 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 74.44 110.92 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.0 t -161.96 -76.47 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 75.32 110.928 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.28 -12.75 59.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 73.34 111.067 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.1 t -63.3 -14.35 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 74.21 111.118 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -38.19 110.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 73.42 111.066 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 66.4 80.67 0.22 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.603 0.716 . . . . 73.02 110.858 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -20.27 34.79 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.657 2.238 . . . . 71.23 112.381 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.0 t -178.15 167.33 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 74.22 111.197 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -48.41 143.36 4.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 74.25 110.892 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -123.37 -8.51 8.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 74.3 110.897 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.2 -8.15 16.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 74.2 111.086 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -136.97 9.9 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 75.14 111.127 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -102.34 -179.31 3.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 70.22 111.099 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.95 169.3 14.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 74.21 111.129 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.1 m -52.75 -37.59 25.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 72.21 111.1 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -66.28 -37.51 85.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 74.53 110.86 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -65.72 -48.54 71.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 74.54 110.877 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 23.3 ttm -65.97 -43.39 88.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 74.32 110.897 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.06 -43.26 83.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 73.34 111.061 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.87 -40.96 85.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 73.51 110.83 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.06 -47.16 87.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 73.14 111.099 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.408 ' HA ' ' HG3' ' A' ' 88' ' ' ARG . 3.6 mt -71.37 -36.46 71.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 75.2 110.976 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -38.12 89.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 74.43 110.918 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.55 -39.76 92.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 74.12 111.123 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.408 ' HG3' ' HA ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -54.78 -55.7 27.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 74.33 110.919 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -71.48 -33.04 68.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 63.3 110.864 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -60.99 -31.21 70.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 74.02 110.851 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -134.57 51.04 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 72.51 110.887 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -101.74 160.27 26.98 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.569 0.7 . . . . 72.15 111.078 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -29.7 23.38 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.687 2.258 . . . . 75.21 112.349 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 25.7 p80 -117.2 149.03 41.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 71.22 110.903 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.96 128.57 53.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 52.24 110.921 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -162.69 128.15 3.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 70.24 110.841 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -170.53 105.65 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 65.54 110.884 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -131.03 41.41 3.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 72.01 110.901 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -82.12 56.56 3.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 73.2 110.837 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -91.55 120.66 32.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 71.44 110.815 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 63.6 159.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 64.34 110.898 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 61.51 110.834 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.899 0.38 . . . . 22.4 111.156 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.52 HD22 ' HB1' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -58.54 -42.46 87.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.895 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -33.27 71.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 64.2 110.892 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.664 HD13 ' SD ' ' A' ' 62' ' ' MET . 1.8 tt -60.28 -52.6 64.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 64.52 110.941 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.708 HG21 ' HA ' ' A' ' 82' ' ' ALA . 2.2 t -63.34 -53.21 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 71.44 111.099 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -56.24 -39.85 73.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 65.34 110.895 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -63.54 -55.19 25.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 64.11 110.805 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.594 HD12 ' HB2' ' A' ' 58' ' ' ALA . 64.0 mt -57.08 -36.74 70.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.302 -0.408 . . . . 75.21 110.967 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.711 ' CG1' HD13 ' A' ' 44' ' ' LEU . 93.7 t -71.78 -48.07 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 71.55 111.109 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.411 ' HA ' HD23 ' A' ' 34' ' ' LEU . . . -57.79 -49.68 75.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 74.33 111.055 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.86 -31.22 72.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 72.43 110.885 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.515 ' HB2' ' HE1' ' A' ' 46' ' ' MET . 1.3 mmp_? -78.77 -16.59 57.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 73.51 110.96 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.19 6.13 49.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 73.44 111.078 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 70.17 35.66 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 74.02 110.827 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.5 161.7 32.64 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.646 0.736 . . . . 71.44 110.878 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 162.37 42.3 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.687 2.258 . . . . 63.3 112.342 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 31' ' ' VAL . 10.0 p -82.11 -14.08 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 70.22 111.108 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.15 -19.51 43.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 65.41 110.859 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 p -102.34 -5.08 9.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 72.21 111.146 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.849 HD11 HG11 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -68.96 118.91 12.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 71.45 110.866 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -81.02 148.15 29.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 61.24 110.82 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.52 -22.73 60.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 73.21 110.843 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -103.18 17.65 23.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 71.24 110.841 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.5 p -80.3 111.2 16.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.914 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -68.62 156.83 37.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 71.12 110.905 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.519 ' HA ' HD12 ' A' ' 44' ' ' LEU . 54.2 m-85 -81.7 24.9 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 71.13 110.869 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.3 mt -160.05 -42.72 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 73.24 110.892 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -61.5 -44.07 97.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 71.03 110.831 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.59 -60.23 1.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 72.42 110.853 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.711 HD13 ' CG1' ' A' ' 23' ' ' VAL . 16.7 mt -55.21 -25.21 31.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 74.31 110.931 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.0 m80 50.23 68.22 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 75.31 110.848 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.601 ' CE ' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -124.1 105.16 9.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 54.44 110.879 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.807 ' O ' HG23 ' A' ' 51' ' ' VAL . 21.8 m -56.14 158.23 4.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 72.45 110.878 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.6 p -47.72 -39.43 17.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 62.23 110.868 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 41.6 mm -73.8 -38.48 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 75.21 111.162 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.1 m -65.58 -42.2 92.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 75.33 111.151 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 47' ' ' SER . 3.8 t -58.41 -49.75 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 74.1 111.13 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.39 -28.29 59.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 53.4 112.488 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -65.82 -44.99 83.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.813 0.339 . . . . 63.35 110.897 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.21 -32.76 33.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 71.31 110.933 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.3 t -59.65 -36.1 63.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 53.13 111.165 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -67.18 -32.25 73.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 64.4 110.879 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -69.69 -34.49 74.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 72.45 110.918 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.594 ' HB2' HD12 ' A' ' 22' ' ' LEU . . . -68.76 -52.06 34.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 74.04 111.011 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.54 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -51.71 -40.11 59.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 34.45 111.128 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -44.65 92.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 73.31 110.848 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.664 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -69.25 -40.81 77.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 32.42 111.111 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.664 ' SD ' HD13 ' A' ' 18' ' ' LEU . 44.0 mmm -72.34 -8.33 54.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 43.14 110.881 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.41 ' C ' HD23 ' A' ' 64' ' ' LEU . . . 74.82 46.75 16.47 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.713 -0.756 . . . . 73.13 112.485 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.582 HD13 HG11 ' A' ' 67' ' ' VAL . 6.3 mt -108.69 -163.9 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.819 0.342 . . . . 54.12 110.909 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.6 t -158.19 -76.03 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 74.44 110.826 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.49 -13.09 59.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 42.52 111.095 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.582 HG11 HD13 ' A' ' 64' ' ' LEU . 69.7 t -60.26 -17.44 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 71.4 111.097 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.51 106.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 61.34 111.071 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.3 mtp 64.91 84.44 0.18 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.573 0.702 . . . . 75.5 110.848 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 -37.9 8.35 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.65 2.233 . . . . 64.42 112.4 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.7 t -160.22 177.13 10.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 74.14 111.12 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -51.52 140.09 18.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 75.52 110.868 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.496 ' CB ' HG11 ' A' ' 51' ' ' VAL . 30.7 m-85 -118.24 -15.79 9.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 52.44 110.855 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.51 -18.55 11.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 42.23 111.134 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.5 t -126.88 11.09 7.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 54.11 111.102 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.437 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -104.32 170.53 7.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 55.43 111.136 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.9 p -121.69 171.21 9.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 44.44 111.091 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.849 HG11 HD11 ' A' ' 34' ' ' LEU . 33.2 m -54.72 -37.61 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 71.5 111.059 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -64.25 -39.43 93.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 73.5 110.86 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -68.6 -48.73 63.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 41.04 110.864 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 35.1 ttm -62.27 -41.9 98.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 72.43 110.823 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.708 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -68.56 -42.47 78.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 74.54 111.069 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.63 -44.38 86.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 61.03 110.886 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.33 94.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 65.14 111.068 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.538 HD12 ' CG2' ' A' ' 19' ' ' VAL . 14.9 mt -70.1 -44.85 68.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 73.34 110.892 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -32.08 73.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.935 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 74.1 111.082 179.876 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.859 0.361 . . . . 73.44 111.1 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.552 HD22 ' HB1' ' A' ' 82' ' ' ALA . 1.0 OUTLIER -71.43 -46.13 60.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 75.22 110.933 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -69.4 -33.49 73.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.35 110.842 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.696 HD11 ' CB ' ' A' ' 61' ' ' ALA . 4.4 tt -67.17 -52.7 38.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 71.31 110.904 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.773 HG21 ' HA ' ' A' ' 82' ' ' ALA . 5.9 t -65.19 -45.38 94.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 72.35 111.098 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.5 -39.86 94.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 74.24 110.895 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -63.61 -55.71 21.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 73.34 110.84 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.461 HD13 ' HB3' ' A' ' 57' ' ' GLU . 96.4 mt -57.37 -35.85 70.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.934 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.614 HG13 HD13 ' A' ' 44' ' ' LEU . 2.1 t -71.89 -48.26 51.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 75.22 111.164 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.72 -48.24 81.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 70.3 111.126 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.94 -28.43 69.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 61.34 110.89 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.53 -24.91 45.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 70.55 110.869 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.37 14.99 14.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 74.12 111.127 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 59.96 40.64 18.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 72.31 110.856 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.1 mt -147.58 159.32 41.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.566 0.698 . . . . 72.41 110.921 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 157.1 61.35 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.568 2.179 . . . . 74.43 112.354 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.419 ' O ' HG22 ' A' ' 31' ' ' VAL . 8.8 p -77.34 -14.04 14.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 73.33 111.125 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.45 -20.53 36.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 44.03 110.881 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.1 p -101.7 -1.93 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.503 . . . . 63.04 111.064 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.833 HD11 HG11 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -69.31 121.01 16.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 64.14 110.882 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -79.57 146.67 32.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 75.4 110.88 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.2 -27.22 61.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 71.13 110.878 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -101.9 18.27 21.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.443 . . . . 71.14 110.881 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.26 139.32 44.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 74.21 110.928 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -94.64 156.37 16.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 70.04 110.862 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.523 ' HA ' HD12 ' A' ' 44' ' ' LEU . 42.9 m-85 -83.41 23.56 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 70.34 110.91 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.446 HD12 ' O ' ' A' ' 74' ' ' ALA . 13.9 mt -157.41 -41.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 72.43 110.924 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -58.28 -52.42 65.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 61.32 110.899 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.79 -55.94 2.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.864 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.614 HD13 HG13 ' A' ' 23' ' ' VAL . 26.6 mt -57.55 -25.61 60.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 72.45 110.957 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 41' ' ' LEU . 13.5 t-80 48.37 73.46 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 73.13 110.84 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -130.27 112.26 13.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 55.1 110.9 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.752 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.6 m -60.41 160.46 8.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 43.01 110.859 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -48.53 -38.19 19.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 72.22 110.876 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.8 mm -74.47 -39.54 48.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 74.43 111.13 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.5 m -63.62 -38.44 91.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 73.24 111.155 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 47' ' ' SER . 6.1 t -63.27 -49.18 84.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 72.42 111.101 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.61 -28.45 56.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 54.35 112.46 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -66.74 -43.84 83.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.345 . . . . 72.33 110.925 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.07 -33.06 33.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 64.35 110.879 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.6 t -58.63 -35.42 55.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 75.03 111.137 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -66.83 -32.88 74.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 74.1 110.889 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.461 ' HB3' HD13 ' A' ' 22' ' ' LEU . 32.4 tp10 -70.44 -34.01 71.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 74.04 110.95 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.09 -51.18 49.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 64.4 111.112 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.796 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -60.31 -36.08 77.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 73.14 111.106 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -44.83 93.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 72.13 110.903 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.696 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -69.21 -37.95 78.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 53.15 111.097 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.424 ' HB2' ' HG ' ' A' ' 64' ' ' LEU . 99.6 mmm -71.84 -22.53 61.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.925 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.96 17.29 38.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 75.41 112.433 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.796 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 7.1 mt -75.72 -165.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 73.41 110.937 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.0 t -159.11 -76.81 0.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.24 -0.436 . . . . 65.2 110.788 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.04 -12.61 59.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 63.03 111.092 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.548 HG11 HD13 ' A' ' 64' ' ' LEU . 93.6 t -60.7 -16.61 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.31 111.136 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.64 106.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 71.15 111.107 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.0 mtp 64.51 82.99 0.2 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.533 0.682 . . . . 64.55 110.899 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -24.47 29.49 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.655 2.237 . . . . 63.33 112.287 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.0 t -175.79 174.98 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 50.25 111.149 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -50.07 140.24 12.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 74.24 110.947 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.524 ' CB ' HG11 ' A' ' 51' ' ' VAL . 30.1 m-85 -119.09 -19.0 8.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 71.43 110.83 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.446 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -54.74 -19.09 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 60.33 111.095 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.4 t -124.34 10.98 8.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 73.32 111.138 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -105.38 172.67 6.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 50.04 111.06 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.8 p -120.61 168.43 11.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 64.41 111.128 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.833 HG11 HD11 ' A' ' 34' ' ' LEU . 6.1 m -54.24 -35.41 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 42.1 111.127 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.12 -38.88 89.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 72.22 110.891 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -67.52 -48.56 66.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 73.33 110.874 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 37.0 ttm -62.7 -43.62 98.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 72.13 110.89 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.773 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -68.55 -42.86 77.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 73.14 111.102 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -66.97 -36.5 82.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 60.44 110.841 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.14 91.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 72.45 111.015 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.66 HD12 ' CG2' ' A' ' 19' ' ' VAL . 89.6 mt -69.98 -44.54 69.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.413 . . . . 75.23 110.911 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -32.5 74.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 73.13 110.93 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 71.1 111.151 179.902 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.413 ' HB2' ' HE1' ' A' ' 62' ' ' MET . . . . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.809 0.338 . . . . 44.5 111.084 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.62 -45.44 71.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 60.12 110.909 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -70.48 -33.74 71.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 63.22 110.894 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.773 HD11 ' HB3' ' A' ' 61' ' ' ALA . 8.6 tt -62.96 -52.76 61.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 63.24 110.953 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.754 HG21 ' HA ' ' A' ' 82' ' ' ALA . 2.3 t -63.09 -50.74 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 73.41 111.12 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -58.43 -39.4 79.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.828 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -63.74 -54.68 31.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 71.34 110.843 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.488 HD13 ' HB3' ' A' ' 57' ' ' GLU . 57.6 mt -56.67 -36.06 69.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 64.01 110.828 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.567 HG21 ' HE1' ' A' ' 40' ' ' PHE . 1.5 t -72.27 -49.48 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 54.55 111.046 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.72 -48.16 78.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 74.41 111.162 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -63.8 -26.34 68.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 73.43 110.909 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.456 ' HB2' ' HE1' ' A' ' 46' ' ' MET . 1.2 mmp_? -79.19 -29.0 42.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 64.44 110.895 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.49 10.93 20.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 74.42 111.104 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 63.23 27.31 15.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 73.1 110.845 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.8 mt -128.59 157.96 73.41 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.515 0.674 . . . . 73.14 110.968 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 148.63 65.38 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.657 2.238 . . . . 71.31 112.318 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.431 ' O ' HG22 ' A' ' 31' ' ' VAL . 8.0 p -70.96 -13.41 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 75.23 111.125 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.51 -19.92 37.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.3 110.868 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -103.6 -3.56 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 65.12 111.155 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.837 HD11 HG11 ' A' ' 78' ' ' VAL . 0.3 OUTLIER -69.41 120.23 14.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 75.53 110.868 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.98 144.97 32.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 65.41 110.921 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -72.36 -26.26 61.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.33 110.92 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -98.95 17.65 19.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 63.22 110.889 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.64 131.99 39.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 62.45 110.842 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -86.04 159.03 19.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 75.52 110.794 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.567 ' HE1' HG21 ' A' ' 23' ' ' VAL . 48.1 m-85 -86.3 23.01 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 70.14 110.839 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.422 HD21 ' HA ' ' A' ' 47' ' ' SER . 13.0 mt -156.8 -42.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 74.44 110.884 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -60.01 -52.06 67.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.881 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.06 -58.1 2.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 43.34 110.847 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 40' ' ' PHE . 25.4 mt -57.47 -24.56 56.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 44.24 110.926 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 37.2 t60 48.53 63.95 1.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.53 110.86 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.456 ' HE1' ' HB2' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -121.67 105.92 10.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 71.3 110.916 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.805 ' O ' HG23 ' A' ' 51' ' ' VAL . 45.7 m -55.52 161.9 1.82 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 62.32 110.874 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -47.21 -39.32 13.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 34.33 110.883 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 42.5 mm -74.35 -40.66 49.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 70.41 111.096 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.8 m -62.76 -38.83 92.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 71.1 111.111 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 47' ' ' SER . 3.9 t -63.48 -49.34 83.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 63.13 111.138 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.432 ' O ' HG12 ' A' ' 55' ' ' VAL . . . -58.17 -27.66 60.42 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.765 -0.731 . . . . 43.01 112.452 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -64.27 -47.73 78.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 54.41 110.932 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.411 ' C ' HD12 ' A' ' 54' ' ' LEU . 0.8 OUTLIER -82.13 -32.29 30.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 53.12 110.906 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.517 HG11 ' HG2' ' A' ' 69' ' ' MET . 0.3 OUTLIER -58.96 -28.73 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 73.54 111.138 179.809 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -69.31 -41.91 76.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 73.01 110.924 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.488 ' HB3' HD13 ' A' ' 22' ' ' LEU . 3.4 tp10 -62.02 -35.61 79.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 72.05 110.883 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.603 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -61.24 -51.78 67.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 73.21 111.174 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.652 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -59.6 -35.36 74.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 33.34 111.074 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -46.02 90.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 74.14 110.868 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.773 ' HB3' HD11 ' A' ' 18' ' ' LEU . . . -69.45 -39.44 77.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 64.33 111.115 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.413 ' HE1' ' HB2' ' A' ' 15' ' ' ALA . 74.6 mmm -70.52 -21.62 62.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 72.42 110.874 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.64 32.85 12.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.746 . . . . 72.31 112.518 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.652 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 6.6 mt -91.99 -165.89 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 54.12 110.902 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.6 t -157.5 -77.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.812 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.32 -12.93 60.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.53 111.063 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.622 HG21 HD13 ' A' ' 64' ' ' LEU . 57.7 t -61.62 -16.24 14.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 62.43 111.102 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.8 107.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 74.05 111.064 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.517 ' HG2' HG11 ' A' ' 55' ' ' VAL . 1.5 mtp 65.22 81.81 0.21 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.59 0.709 . . . . 71.53 110.861 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -29.72 23.31 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.725 2.283 . . . . 63.41 112.337 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.7 t -170.7 176.7 4.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 74.34 111.132 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -50.37 143.03 9.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 70.51 110.849 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.456 ' CB ' HG11 ' A' ' 51' ' ' VAL . 32.7 m-85 -122.34 -17.58 7.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 75.43 110.929 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.22 -19.03 7.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 71.4 111.137 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 t -124.57 10.88 8.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 61.31 111.121 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.408 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -105.83 169.1 8.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 60.55 111.092 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 29.1 p -119.28 172.14 7.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 74.55 111.099 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.837 HG11 HD11 ' A' ' 34' ' ' LEU . 21.3 m -53.9 -36.82 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 64.12 111.065 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.433 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 0.7 OUTLIER -65.67 -43.26 89.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 75.52 110.835 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.65 -48.66 78.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.86 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 27.5 ttm -64.08 -36.62 84.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 73.35 110.902 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.754 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -69.17 -51.34 39.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 52.01 111.029 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 79' ' ' ARG . 24.4 pt-20 -59.84 -35.97 75.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 54.21 110.921 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.62 85.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 65.2 111.075 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.47 HD12 ' CG2' ' A' ' 19' ' ' VAL . 40.1 mt -72.35 -44.73 62.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 63.05 110.89 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -62.17 -36.69 82.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 74.02 110.911 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 31.41 111.062 179.922 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.417 ' HB3' ' HG2' ' A' ' 86' ' ' GLU . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.735 0.302 . . . . 73.04 111.054 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.647 HD22 ' HB1' ' A' ' 82' ' ' ALA . 1.3 mm? -69.06 -34.38 75.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 73.41 110.874 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -34.34 73.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 74.31 110.843 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.726 HD11 ' CB ' ' A' ' 61' ' ' ALA . 3.8 tt -67.32 -52.94 34.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.179 -0.464 . . . . 73.34 110.88 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.751 HG21 ' HA ' ' A' ' 82' ' ' ALA . 3.8 t -63.4 -49.91 80.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 64.5 111.18 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.615 ' HD2' HD12 ' A' ' 16' ' ' LEU . 34.5 mtp180 -58.88 -39.88 82.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 73.51 110.925 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -63.99 -51.76 62.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 74.04 110.796 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.593 HD13 ' HB3' ' A' ' 57' ' ' GLU . 44.4 mt -57.79 -36.17 71.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 62.34 110.897 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.539 HG22 ' HE1' ' A' ' 46' ' ' MET . 0.9 OUTLIER -72.35 -44.94 62.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 75.23 111.094 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.418 ' N ' HG12 ' A' ' 23' ' ' VAL . . . -59.82 -48.06 83.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 74.45 111.099 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -64.65 -28.52 69.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 74.45 110.909 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.74 -17.7 52.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 73.45 110.872 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.3 13.64 34.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 62.53 111.121 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 55.47 46.16 23.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 74.01 110.838 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.87 HD11 HD23 ' A' ' 34' ' ' LEU . 3.9 pp -147.61 157.14 44.96 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.63 0.728 . . . . 73.23 110.913 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.537 ' O ' HG12 ' A' ' 33' ' ' VAL . 52.9 Cg_endo -69.77 135.75 31.22 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.643 2.228 . . . . 74.33 112.367 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.01 -16.7 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 70.14 111.124 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.9 -19.66 57.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 74.4 110.947 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' ' 30' ' ' PRO . 1.4 p -104.65 -0.89 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 73.24 111.071 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.87 HD23 HD11 ' A' ' 29' ' ' LEU . 1.2 tm? -69.17 120.42 14.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.907 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.493 ' O ' HD13 ' A' ' 34' ' ' LEU . 1.4 mmm180 -80.62 150.32 29.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 73.33 110.905 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.14 -25.67 60.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 73.44 110.939 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -99.9 18.25 18.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 73.24 110.845 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.1 p -72.97 122.47 21.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 54.13 110.866 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.405 ' HB2' ' H ' ' A' ' 42' ' ' ASP . 5.5 mtp180 -84.62 152.24 23.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.798 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.499 ' HE1' HG21 ' A' ' 23' ' ' VAL . 24.6 m-85 -79.54 25.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 74.21 110.867 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.53 HD12 ' O ' ' A' ' 74' ' ' ALA . 12.8 mt -159.3 -43.24 0.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 75.21 110.889 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.405 ' H ' ' HB2' ' A' ' 39' ' ' ARG . 39.6 t0 -57.04 -56.11 25.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 64.42 110.831 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.39 -56.18 2.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 73.54 110.869 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.456 HD13 HG13 ' A' ' 23' ' ' VAL . 27.1 mt -55.89 -25.52 43.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 72.01 110.92 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.0 t60 48.06 79.39 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 74.42 110.837 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.539 ' HE1' HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -135.82 109.2 7.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 54.34 110.839 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.753 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.7 m -57.79 159.84 5.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.857 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 p -48.23 -37.85 17.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 74.54 110.772 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.512 ' H ' HD12 ' A' ' 49' ' ' ILE . 5.3 mp -74.5 -40.66 48.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 71.35 111.156 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.5 m -62.95 -37.62 87.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 53.52 111.168 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 47' ' ' SER . 6.2 t -64.17 -49.3 81.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 55.31 111.183 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.68 -28.21 56.34 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.766 -0.731 . . . . 74.11 112.521 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -67.02 -44.54 80.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 73.14 110.94 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.94 -32.44 34.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 74.52 110.997 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.2 t -58.05 -35.05 50.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 75.25 111.141 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -66.75 -31.24 71.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 62.22 110.874 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.593 ' HB3' HD13 ' A' ' 22' ' ' LEU . 12.6 tp10 -70.58 -34.12 71.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 75.34 110.85 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.492 ' HB2' HD12 ' A' ' 22' ' ' LEU . . . -67.65 -52.45 37.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 73.42 111.128 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.734 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -58.18 -38.15 76.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 65.13 111.125 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -42.22 94.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 72.5 110.819 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.726 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -68.77 -41.45 78.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 73.23 111.099 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.561 ' SD ' HD13 ' A' ' 18' ' ' LEU . 10.9 mmm -71.24 -21.52 62.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 60.24 110.894 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.98 2.37 56.04 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.757 -0.735 . . . . 70.24 112.464 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.734 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 18.4 mt -66.49 -163.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 63.32 110.916 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.9 p -167.0 -76.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 53.2 110.863 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.55 -12.87 61.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 75.22 111.096 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.591 HG11 HD13 ' A' ' 64' ' ' LEU . 99.6 t -62.37 -15.32 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 70.53 111.112 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 67' ' ' VAL . . . -37.14 105.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 74.34 111.116 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.3 mtp 62.31 82.27 0.22 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 72.51 110.89 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -22.23 32.37 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.617 2.211 . . . . 53.32 112.415 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.0 t -176.49 171.33 2.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 52.13 111.179 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -48.95 139.51 10.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 73.22 110.9 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.514 ' CB ' HG11 ' A' ' 51' ' ' VAL . 30.4 m-85 -119.16 -19.93 8.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 65.42 110.87 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.53 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -54.13 -19.67 5.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 61.15 111.118 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.7 t -123.38 10.89 9.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 72.44 111.119 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.43 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -107.17 173.81 6.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 51.22 111.151 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.0 p -123.71 169.5 11.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 53.03 111.115 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.695 HG11 HD11 ' A' ' 34' ' ' LEU . 35.5 m -52.44 -37.16 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 55.25 111.148 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.59 -38.74 92.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 74.31 110.891 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -68.47 -48.34 64.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 60.04 110.881 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.403 ' HE3' ' CE1' ' A' ' 40' ' ' PHE . 40.3 ttm -62.79 -43.47 98.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 71.14 110.874 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.751 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -68.92 -43.88 74.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 75.53 111.063 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.8 -40.83 89.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 71.55 110.884 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.43 -48.17 82.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 73.13 111.126 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.527 HD12 ' CG2' ' A' ' 19' ' ' VAL . 44.4 mt -72.16 -31.98 66.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 74.23 110.947 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.417 ' HG2' ' HB3' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -60.78 -47.08 87.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 63.54 110.83 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 73.14 111.106 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.89 0.376 . . . . 72.21 111.127 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -57.86 -46.97 84.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 71.4 110.894 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -32.96 68.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 61.41 110.922 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.699 HD11 ' CB ' ' A' ' 61' ' ' ALA . 1.5 tt -60.26 -53.52 56.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 73.33 110.975 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.711 HG21 ' HA ' ' A' ' 82' ' ' ALA . 4.4 t -60.91 -53.49 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 53.1 111.189 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.7 mtp85 -56.83 -38.37 72.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 75.02 110.871 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -67.47 -54.42 20.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 52.3 110.81 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.503 HD13 ' HB3' ' A' ' 57' ' ' GLU . 63.3 mt -57.28 -40.49 77.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 63.31 110.975 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 19' ' ' VAL . 68.7 t -72.02 -48.61 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 62.21 111.117 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.45 -48.37 74.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 53.54 111.121 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.45 -25.11 67.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 64.33 110.857 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.47 -25.44 50.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.87 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.44 11.12 24.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 52.43 111.085 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.77 39.34 6.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 72.44 110.89 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.515 HD22 HG21 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -147.27 159.45 42.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.635 0.731 . . . . 74.11 110.877 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.64 ' O ' HG22 ' A' ' 33' ' ' VAL . 53.2 Cg_endo -69.83 156.26 63.61 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.717 2.278 . . . . 70.23 112.299 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 31' ' ' VAL . 13.0 p -74.51 -6.27 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 43.22 111.163 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.26 -24.38 37.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 64.24 110.885 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 30' ' ' PRO . 24.4 m -92.52 -12.35 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 64.31 111.146 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.937 HD11 HG11 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -69.83 121.44 17.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 75.22 110.947 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -99.61 157.14 16.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 62.42 110.897 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -72.1 -15.36 62.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.909 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -108.56 17.64 21.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 73.44 110.891 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.449 ' O ' HG13 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -85.44 94.11 8.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 62.22 110.901 -179.766 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.449 ' HA ' HG22 ' A' ' 77' ' ' THR . 2.7 mtp180 -50.73 160.39 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 74.4 110.895 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.668 ' HA ' HD12 ' A' ' 44' ' ' LEU . 65.1 m-85 -83.15 18.42 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 74.03 110.927 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 40' ' ' PHE . 1.0 OUTLIER -152.7 -32.42 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 74.43 110.92 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -74.01 -61.88 1.7 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 70.55 110.867 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.39 0.89 31.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.163 -0.471 . . . . 64.12 110.853 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 40' ' ' PHE . 96.2 mt -121.2 -24.64 5.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 65.54 110.9 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 41' ' ' LEU . 7.8 t-80 47.03 50.29 14.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 62.45 110.853 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.1 mmm -107.7 127.57 53.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 73.35 110.943 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.796 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.8 m -72.3 154.34 41.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 64.01 110.841 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 p -47.37 -38.64 13.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 63.32 110.877 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.9 mm -74.17 -42.0 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 53.42 111.166 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 82.3 m -60.73 -37.04 80.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 45.24 111.16 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 47' ' ' SER . 4.1 t -61.86 -49.79 82.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 64.43 111.108 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.457 ' O ' HG12 ' A' ' 55' ' ' VAL . . . -58.55 -26.85 60.3 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.739 -0.744 . . . . 50.35 112.503 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -65.95 -46.91 76.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 54.13 110.897 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.449 HD11 HG22 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -82.48 -31.96 29.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 71.54 110.939 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.557 HG11 ' HG2' ' A' ' 69' ' ' MET . 0.3 OUTLIER -58.06 -28.56 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 74.42 111.171 179.779 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -69.9 -39.0 76.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 71.22 110.835 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.503 ' HB3' HD13 ' A' ' 22' ' ' LEU . 11.5 tp10 -61.38 -34.9 76.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 72.21 110.941 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.433 ' HB2' HD12 ' A' ' 22' ' ' LEU . . . -65.59 -52.62 50.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 53.4 111.113 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.407 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -52.11 -39.26 59.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 63.02 111.148 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -44.73 94.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 70.32 110.889 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.699 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -69.2 -42.49 75.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 44.21 111.137 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.653 ' SD ' HD13 ' A' ' 18' ' ' LEU . 65.7 mmm -71.61 -9.17 57.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 60.05 110.953 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.3 50.76 20.26 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 52.44 112.415 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.593 HD13 HG11 ' A' ' 67' ' ' VAL . 9.0 mt -108.92 -164.44 0.94 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.848 0.356 . . . . 74.11 110.911 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.0 t -157.73 -75.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 54.21 110.924 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.39 -13.87 59.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 63.31 111.081 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.593 HG11 HD13 ' A' ' 64' ' ' LEU . 72.0 t -61.57 -16.88 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 74.01 111.105 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -43.79 106.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 51.32 111.122 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.557 ' HG2' HG11 ' A' ' 55' ' ' VAL . 2.0 mtp 65.85 82.65 0.2 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.601 0.715 . . . . 73.35 110.856 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -31.65 20.2 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.655 2.237 . . . . 74.43 112.356 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.8 t -168.68 174.58 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 73.11 111.135 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -50.02 143.51 7.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 74.52 110.897 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.508 ' HB3' HG11 ' A' ' 51' ' ' VAL . 40.7 m-85 -122.64 -6.29 8.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 61.24 110.9 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.451 ' HA ' HD11 ' A' ' 41' ' ' LEU . . . -68.24 -5.92 20.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 73.15 111.12 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 t -137.97 10.12 2.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 63.43 111.106 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.91 173.83 6.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 63.33 111.066 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.449 HG22 ' HA ' ' A' ' 39' ' ' ARG . 1.6 p -119.74 168.37 11.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 65.24 111.215 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.937 HG11 HD11 ' A' ' 34' ' ' LEU . 5.5 m -53.14 -36.09 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 74.4 111.136 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -67.16 -39.33 86.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 70.22 110.858 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -64.08 -48.68 75.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 74.53 110.84 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.409 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 25.0 ttm -63.18 -40.63 98.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 73.44 110.914 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.711 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -68.98 -49.58 56.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 63.44 111.065 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -59.37 -36.06 75.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 70.01 110.873 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.64 -40.57 73.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 71.44 111.105 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.5 mt -71.07 -45.02 64.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 64.14 110.893 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -64.13 -33.53 76.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 54.43 110.929 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 43.12 111.092 179.916 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.756 0.312 . . . . 74.12 111.069 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.5 HD22 ' HB1' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -57.36 -40.98 79.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 75.11 110.936 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -34.15 70.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.155 -0.475 . . . . 60.52 110.883 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.69 HD11 ' CB ' ' A' ' 61' ' ' ALA . 1.6 tt -60.69 -53.92 51.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 71.35 110.963 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.74 HG21 ' HA ' ' A' ' 82' ' ' ALA . 5.9 t -65.32 -51.57 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 74.34 111.158 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.809 ' HG2' HD12 ' A' ' 34' ' ' LEU . 20.7 mtp180 -55.49 -38.35 69.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 73.01 110.896 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -65.89 -59.46 3.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.895 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.1 mt -57.04 -36.54 70.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 64.31 110.861 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.677 HG13 HD13 ' A' ' 44' ' ' LEU . 1.5 t -71.46 -48.92 50.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 74.41 111.134 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.524 ' HB1' HD12 ' A' ' 29' ' ' LEU . . . -60.8 -46.67 89.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 54.14 111.132 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.19 -25.62 68.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 71.13 110.876 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -78.47 -28.6 46.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 73.55 110.791 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.435 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -88.33 9.08 24.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 72.41 111.029 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 64.26 44.84 4.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 63.23 110.87 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.524 HD12 ' HB1' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -147.91 159.72 39.69 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.6 0.714 . . . . 74.42 110.901 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.502 ' O ' HG12 ' A' ' 33' ' ' VAL . 54.5 Cg_endo -69.69 143.59 51.66 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.69 2.26 . . . . 75.32 112.381 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 31' ' ' VAL . 11.4 p -68.64 -11.86 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 72.32 111.141 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.5 -21.02 38.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.2 110.91 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.502 HG12 ' O ' ' A' ' 30' ' ' PRO . 2.3 p -101.12 -3.19 9.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 74.14 111.114 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.998 HD11 HG11 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -68.96 118.15 11.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 55.21 110.933 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.6 mtp85 -91.11 157.11 17.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 75.32 110.91 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -75.47 -14.63 60.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 73.41 110.892 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -97.53 -6.81 32.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 64.5 110.819 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.65 ' O ' HG13 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -62.74 107.82 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 64.21 110.841 -179.768 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.451 ' HG2' HG22 ' A' ' 77' ' ' THR . 4.8 mtp180 -73.74 162.05 29.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 61.32 110.856 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.596 ' HE1' HG21 ' A' ' 23' ' ' VAL . 39.8 m-85 -84.54 24.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 71.04 110.875 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' 74' ' ' ALA . 12.6 mt -157.78 -39.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 72.32 110.942 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.408 ' H ' ' HB2' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -62.23 -57.48 11.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.906 179.805 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.99 -56.95 2.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 60.12 110.878 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.677 HD13 HG13 ' A' ' 23' ' ' VAL . 22.1 mt -58.69 -27.31 64.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 74.04 110.895 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 41' ' ' LEU . 5.7 t-160 49.52 74.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.895 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.515 ' HB2' HG22 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -131.46 113.45 13.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 52.13 110.895 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.757 ' O ' HG23 ' A' ' 51' ' ' VAL . 21.1 m -58.74 160.15 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.853 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 p -47.9 -39.45 18.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 73.1 110.834 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 41.7 mm -74.83 -37.83 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 71.42 111.148 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.3 m -64.9 -38.49 91.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 71.11 111.14 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 47' ' ' SER . 6.5 t -63.59 -47.76 89.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 62.14 111.152 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.461 ' O ' HG12 ' A' ' 55' ' ' VAL . . . -59.34 -27.88 63.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 62.51 112.482 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -47.48 81.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 75.34 110.916 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.412 ' C ' HD12 ' A' ' 54' ' ' LEU . 0.8 OUTLIER -81.98 -32.33 30.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 75.11 110.916 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.501 HG11 ' HG2' ' A' ' 69' ' ' MET . 0.3 OUTLIER -58.55 -28.79 37.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 52.14 111.173 179.755 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.8 -40.42 75.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 74.51 110.886 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -61.63 -36.0 79.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 72.34 110.815 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.73 -51.4 62.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 65.15 111.119 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.437 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -54.4 -38.37 66.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 55.5 111.151 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -59.64 -44.19 93.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.87 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.69 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -69.05 -41.56 77.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 71.2 111.063 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.631 ' SD ' HD13 ' A' ' 18' ' ' LEU . 68.8 mmm -72.05 -8.12 52.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 74.31 110.909 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.52 48.32 30.22 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.785 -0.721 . . . . 74.41 112.521 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.608 HD13 HG11 ' A' ' 67' ' ' VAL . 8.4 mt -107.02 -164.29 0.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 70.32 110.927 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.2 t -158.91 -75.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 65.43 110.885 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.97 -13.09 60.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 72.31 111.089 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.608 HG11 HD13 ' A' ' 64' ' ' LEU . 96.7 t -60.69 -17.16 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.416 . . . . 61.24 111.081 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.14 106.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 62.15 111.053 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.501 ' HG2' HG11 ' A' ' 55' ' ' VAL . 1.5 mtp 64.79 81.21 0.22 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.57 0.7 . . . . 64.52 110.845 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 -25.3 29.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.639 2.226 . . . . 71.35 112.39 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.3 t -175.12 173.38 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 73.22 111.237 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -49.42 141.83 8.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 74.54 110.855 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.447 ' CB ' HG11 ' A' ' 51' ' ' VAL . 35.8 m-85 -120.83 -19.85 7.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 71.21 110.845 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.488 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -54.39 -19.56 5.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 70.53 111.099 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 t -122.92 10.63 9.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 74.02 111.161 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -105.24 176.69 5.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 72.21 111.115 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.451 HG22 ' HG2' ' A' ' 39' ' ' ARG . 20.9 p -124.84 169.87 11.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 71.43 111.045 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.998 HG11 HD11 ' A' ' 34' ' ' LEU . 3.5 m -53.57 -36.78 29.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 72.1 111.087 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -67.09 -38.3 85.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 72.15 110.862 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -65.11 -48.73 72.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 52.41 110.885 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 29.0 ttm -65.39 -39.86 92.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 65.34 110.85 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.74 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -69.34 -49.46 55.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 54.32 111.089 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -59.85 -36.63 77.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.294 -0.412 . . . . 75.25 110.864 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.17 -43.99 85.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 60.42 111.14 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.47 HD12 ' CG2' ' A' ' 19' ' ' VAL . 65.4 mt -71.8 -42.16 67.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.901 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.18 -31.1 70.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 54.44 110.847 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 64.25 111.14 179.898 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.848 0.356 . . . . 72.21 111.132 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.518 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -59.35 -38.86 81.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 73.4 110.955 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -32.9 71.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 72.45 110.918 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.719 HD11 ' CB ' ' A' ' 61' ' ' ALA . 3.4 tt -61.54 -53.41 56.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 70.11 110.963 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.734 ' CG2' HD12 ' A' ' 85' ' ' LEU . 2.8 t -62.52 -53.59 45.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 74.12 111.119 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -55.46 -39.36 70.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 73.52 110.88 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -64.52 -50.6 66.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.133 -0.485 . . . . 72.45 110.842 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.666 HD12 ' HB2' ' A' ' 58' ' ' ALA . 35.5 mt -57.16 -41.48 79.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 62.4 110.898 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.573 ' CG1' HD13 ' A' ' 44' ' ' LEU . 76.4 t -67.0 -49.18 76.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 75.11 111.069 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.79 -48.91 76.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 64.32 111.113 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -64.73 -28.23 69.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 75.53 110.857 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -78.95 -16.12 57.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 73.43 110.808 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.25 9.82 42.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 73.43 111.153 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 65.49 37.16 6.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 64.1 110.821 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.608 HD22 HG21 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -147.74 159.86 39.79 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.579 0.704 . . . . 72.12 110.925 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.573 ' HG2' HG13 ' A' ' 33' ' ' VAL . 53.6 Cg_endo -69.8 157.12 61.39 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.659 2.239 . . . . 73.12 112.345 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 31' ' ' VAL . 14.6 p -74.99 -5.63 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 72.35 111.175 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.8 -25.55 32.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 72.11 110.951 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.608 HG21 HD22 ' A' ' 29' ' ' LEU . 21.3 m -92.54 -8.31 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 62.31 111.074 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.849 HD11 HG11 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -69.78 127.19 32.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 73.45 110.949 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.6 155.2 18.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 71.42 110.884 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -73.18 -14.62 61.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 73.42 110.839 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -100.19 -6.59 25.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 73.4 110.816 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.46 ' O ' HG13 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -65.49 112.47 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 51.14 110.943 -179.837 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.487 ' HB2' ' H ' ' A' ' 42' ' ' ASP . 5.0 mtp180 -77.6 157.44 30.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 72.03 110.919 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.463 ' HA ' HD12 ' A' ' 44' ' ' LEU . 45.4 m-85 -78.85 22.29 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 74.11 110.922 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.534 HD12 ' O ' ' A' ' 74' ' ' ALA . 13.6 mt -158.84 -40.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 65.52 110.972 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.487 ' H ' ' HB2' ' A' ' 39' ' ' ARG . 23.1 t70 -57.47 -53.7 55.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 73.2 110.831 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.62 -51.47 2.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 62.31 110.82 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.573 HD13 ' CG1' ' A' ' 23' ' ' VAL . 13.8 mt -60.06 -25.06 65.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 73.21 110.98 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 41' ' ' LEU . 23.7 t-160 47.37 82.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 73.12 110.902 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.7 mtp -138.12 116.94 12.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 73.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.756 ' O ' HG23 ' A' ' 51' ' ' VAL . 6.6 m -61.38 155.57 21.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 53.22 110.841 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.74 -37.58 19.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 74.11 110.877 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.1 mm -73.88 -41.2 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 63.22 111.188 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.7 m -61.83 -35.05 77.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 71.04 111.173 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 47' ' ' SER . 4.6 t -65.97 -50.86 66.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 73.2 111.099 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.45 -28.03 58.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.795 -0.717 . . . . 53.04 112.445 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -62.72 -46.97 85.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 72.43 110.947 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.519 HD13 ' HB3' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -82.34 -31.91 29.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 71.33 110.916 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 51' ' ' VAL . 11.9 t -56.44 -33.94 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 65.2 111.123 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -67.44 -34.42 77.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 75.34 110.859 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -71.32 -34.06 70.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 74.33 110.899 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.666 ' HB2' HD12 ' A' ' 22' ' ' LEU . . . -64.39 -51.18 64.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 61.14 111.084 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.802 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -61.72 -36.15 80.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.282 -0.417 . . . . 50.35 111.169 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -43.54 94.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 65.04 110.829 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.719 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -68.99 -38.99 79.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 43.43 111.089 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.433 ' HB2' ' HG ' ' A' ' 64' ' ' LEU . 93.6 mmm -71.51 -22.74 61.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 72.53 110.931 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.29 14.41 41.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.747 . . . . 73.34 112.472 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.802 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 6.1 mt -75.15 -165.61 0.41 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.762 0.315 . . . . 50.13 110.958 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.3 p -158.32 -77.4 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 64.4 110.79 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.92 -12.66 60.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 62.23 111.056 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.573 HG21 HD13 ' A' ' 64' ' ' LEU . 97.8 t -60.49 -17.11 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.28 -0.418 . . . . 75.13 111.123 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.64 107.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.35 111.115 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.3 mtp 64.7 82.93 0.2 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.603 0.716 . . . . 65.11 110.899 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -24.54 29.83 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.734 2.289 . . . . 74.33 112.322 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.3 t -175.97 173.04 2.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 73.23 111.145 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -49.66 140.15 11.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 41.33 110.881 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.478 ' CB ' HG11 ' A' ' 51' ' ' VAL . 36.2 m-85 -118.58 -17.73 9.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.895 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.534 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -55.05 -18.65 5.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 74.3 111.092 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 t -124.88 11.19 8.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 72.22 111.135 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -106.7 171.98 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.305 -0.407 . . . . 32.32 111.037 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 61.5 p -118.43 168.25 10.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 71.4 111.156 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.849 HG11 HD11 ' A' ' 34' ' ' LEU . 7.6 m -53.84 -35.53 27.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 73.01 111.145 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -65.85 -39.61 90.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 64.51 110.874 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -65.15 -47.99 75.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.916 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.42 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 36.0 ttm -64.75 -41.97 95.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 42.41 110.927 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.623 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -68.33 -50.67 51.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 51.11 111.087 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.2 -35.79 78.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 65.21 110.883 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.54 -46.76 86.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 73.04 111.082 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.734 HD12 ' CG2' ' A' ' 19' ' ' VAL . 87.4 mt -70.86 -45.4 64.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 63.31 110.933 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -61.31 -33.92 74.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 73.53 110.839 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 74.45 111.027 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.839 0.352 . . . . 63.11 111.176 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.554 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -70.11 -44.2 69.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.923 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 21' ' ' HIS . 8.2 pt-20 -70.8 -33.67 70.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 70.3 110.854 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.774 HD11 ' CB ' ' A' ' 61' ' ' ALA . 9.9 tt -57.08 -51.75 68.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 74.53 110.976 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.693 HG21 ' HA ' ' A' ' 82' ' ' ALA . 2.4 t -63.1 -55.33 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 44.22 111.114 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.487 ' HG2' HD12 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -55.44 -39.02 69.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 75.15 110.88 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.567 ' CE1' HG21 ' A' ' 31' ' ' VAL . 19.0 t60 -61.91 -58.8 6.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 71.31 110.84 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.7 mt -55.71 -42.51 75.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 63.32 110.899 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.642 ' CG1' HD13 ' A' ' 44' ' ' LEU . 94.5 t -61.62 -45.0 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 60.23 111.075 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.418 ' HB1' ' HA ' ' A' ' 31' ' ' VAL . . . -62.9 -48.92 76.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 74.05 111.108 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -58.59 -26.58 63.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.14 110.821 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.458 ' HB2' ' HE1' ' A' ' 46' ' ' MET . 1.8 mmp_? -78.63 -18.36 54.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 63.22 110.946 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.76 5.59 43.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 64.23 111.158 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 63.56 64.75 0.78 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 74.31 110.929 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.837 HD22 HG21 ' A' ' 33' ' ' VAL . 34.4 mt -144.54 159.85 49.92 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.543 0.687 . . . . 74.2 110.924 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.739 ' HG2' HG13 ' A' ' 33' ' ' VAL . 54.1 Cg_endo -69.74 3.25 2.87 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.699 2.266 . . . . 73.14 112.331 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.567 HG21 ' CE1' ' A' ' 21' ' ' HIS . 58.5 t 76.44 -43.25 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 74.44 111.091 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -18.8 27.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 71.02 110.865 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.837 HG21 HD22 ' A' ' 29' ' ' LEU . 5.2 m -91.84 -10.47 9.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 52.43 111.198 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.844 HD11 HG11 ' A' ' 78' ' ' VAL . 0.5 OUTLIER -67.85 121.21 15.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 42.45 110.913 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.7 156.3 17.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 73.45 110.864 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -74.88 -15.17 60.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 65.14 110.893 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -110.54 18.86 19.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 70.22 110.836 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.506 ' O ' HG13 ' A' ' 78' ' ' VAL . 1.2 m -78.94 109.01 12.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 73.1 110.852 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.437 ' HE ' HG23 ' A' ' 77' ' ' THR . 3.0 mtp180 -65.77 156.51 32.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 73.53 110.905 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.66 ' HA ' HD12 ' A' ' 44' ' ' LEU . 55.4 m-85 -82.78 23.7 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.892 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.465 HD21 ' HA ' ' A' ' 47' ' ' SER . 13.4 mt -156.57 -39.66 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 75.33 110.858 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -65.89 -57.34 8.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 72.21 110.834 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.29 -55.69 2.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 51.51 110.932 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 40' ' ' PHE . 15.2 mt -62.36 -26.63 68.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 71.12 110.862 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 41' ' ' LEU . 4.1 t60 48.79 67.44 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 71.25 110.876 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.458 ' HE1' ' HB2' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -127.8 106.45 9.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 63.11 110.935 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.79 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -55.75 162.35 1.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 65.23 110.85 -179.821 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.3 p -47.68 -32.63 5.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 72.04 110.879 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 16.3 mm -75.88 -46.17 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.069 -0.514 . . . . 55.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.2 m -60.86 -37.18 81.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 64.42 111.105 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 47' ' ' SER . 4.8 t -63.86 -50.16 78.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 64.2 111.073 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.29 -27.72 58.18 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.685 -0.769 . . . . 74.22 112.495 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -67.25 -45.27 77.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.782 0.325 . . . . 74.34 110.885 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.412 ' HB2' ' HG3' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -80.98 -32.39 34.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.443 . . . . 73.2 110.876 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.9 t -58.31 -32.51 45.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 72.05 111.147 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.56 -33.57 75.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 75.14 110.871 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -71.18 -35.26 71.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 72.2 110.86 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.43 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -68.84 -52.56 28.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 50.11 111.074 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.702 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -54.82 -46.49 74.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 74.21 111.116 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -36.85 73.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 72.35 110.872 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.774 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -69.18 -42.89 75.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 51.13 111.129 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.652 ' HG3' HD22 ' A' ' 85' ' ' LEU . 85.8 mmm -71.26 -12.11 61.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 71.22 110.846 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.38 12.87 50.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.754 -0.736 . . . . 71.4 112.577 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.702 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 9.6 mt -78.26 -168.14 1.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 71.23 110.908 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.4 p -161.69 -74.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 72.33 110.913 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.85 -11.63 58.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 73.31 111.168 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.565 HG11 HD13 ' A' ' 64' ' ' LEU . 48.1 t -62.5 -13.62 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 75.34 111.051 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 67' ' ' VAL . . . -33.47 108.46 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 21.2 111.097 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.5 mtp 66.85 84.48 0.17 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.48 0.657 . . . . 72.23 110.851 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -23.58 30.55 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.685 2.257 . . . . 74.23 112.316 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.2 t -175.8 172.8 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 75.52 111.162 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -49.62 141.0 10.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.428 . . . . 53.04 110.903 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.552 ' CB ' HG11 ' A' ' 51' ' ' VAL . 32.5 m-85 -120.89 -18.41 7.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 60.14 110.89 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.455 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -54.45 -20.27 7.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 72.11 111.105 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 t -122.27 10.67 9.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 73.14 111.148 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -107.24 170.68 7.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 73.42 111.148 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.437 HG23 ' HE ' ' A' ' 39' ' ' ARG . 13.3 p -120.63 171.65 8.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 71.34 111.186 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.844 HG11 HD11 ' A' ' 34' ' ' LEU . 16.3 m -53.04 -36.01 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 65.14 111.137 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 -66.47 -38.73 87.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 72.54 110.87 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -66.25 -49.02 68.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 70.15 110.893 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.429 ' HE3' ' CE1' ' A' ' 40' ' ' PHE . 39.5 ttm -64.82 -42.26 95.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.874 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.693 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -68.64 -45.2 72.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 75.44 111.099 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.53 -42.14 95.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 75.54 110.863 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.98 99.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 40.12 111.097 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.652 HD22 ' HG3' ' A' ' 62' ' ' MET . 1.9 mt -71.33 -44.38 65.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 65.32 110.932 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -61.91 -32.94 73.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 70.13 110.91 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.4 ' N ' ' HG3' ' A' ' 86' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 60.13 111.078 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.824 0.345 . . . . 62.2 111.106 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -61.27 -46.76 89.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 72.05 110.944 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -71.16 -32.93 69.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 63.12 110.895 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.753 HD11 ' CB ' ' A' ' 61' ' ' ALA . 5.8 tt -58.24 -52.6 64.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 73.23 110.923 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.641 HG21 ' HA ' ' A' ' 82' ' ' ALA . 2.3 t -65.76 -53.0 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 62.31 111.115 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.728 ' HG2' HD12 ' A' ' 34' ' ' LEU . 52.6 mtp180 -54.6 -38.93 67.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 73.53 110.852 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -66.2 -51.85 53.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 73.02 110.853 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.637 HD12 ' HB2' ' A' ' 58' ' ' ALA . 59.8 mt -61.05 -39.84 91.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 62.25 110.952 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 19' ' ' VAL . 85.3 t -70.63 -48.74 56.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 73.34 111.153 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.488 ' HB1' HD12 ' A' ' 29' ' ' LEU . . . -59.21 -47.39 85.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 62.33 111.131 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -64.98 -28.14 69.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 75.41 110.896 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.47 ' HB2' ' HE1' ' A' ' 46' ' ' MET . 0.4 OUTLIER -78.74 -25.42 44.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 74.14 110.825 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.37 9.93 24.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 74.53 111.099 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 63.81 42.2 6.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.84 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.525 HD11 HD23 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -147.6 158.31 43.35 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.572 0.701 . . . . 63.42 110.942 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.471 ' O ' HG12 ' A' ' 33' ' ' VAL . 53.4 Cg_endo -69.66 146.04 59.55 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.7 2.266 . . . . 64.31 112.349 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 31' ' ' VAL . 11.1 p -69.83 -11.99 15.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 64.25 111.136 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.89 -21.24 40.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 72.31 110.918 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.471 HG12 ' O ' ' A' ' 30' ' ' PRO . 2.5 p -102.58 -1.41 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 74.04 111.169 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.048 HD11 HG11 ' A' ' 78' ' ' VAL . 1.3 tm? -68.9 117.56 10.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 63.24 110.866 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.416 ' O ' HD13 ' A' ' 34' ' ' LEU . 4.3 mtt180 -87.71 154.15 20.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.849 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.424 ' HA ' ' CG2' ' A' ' 78' ' ' VAL . 55.6 m-20 -75.35 -15.07 60.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 62.24 110.87 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -98.82 17.83 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 60.41 110.864 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.415 ' OG ' HG13 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -84.93 118.48 24.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 71.35 110.876 -179.741 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.808 ' HG2' HG22 ' A' ' 77' ' ' THR . 0.7 OUTLIER -94.93 143.94 26.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 63.34 110.854 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.666 ' HA ' HD12 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -83.28 55.7 3.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 75.12 110.895 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.641 HD22 ' O ' ' A' ' 46' ' ' MET . 0.0 OUTLIER 179.74 -41.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 74.43 110.889 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -78.14 -63.53 1.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 53.5 110.914 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.69 -63.21 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 73.22 110.815 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 40' ' ' PHE . 19.4 mt -52.66 -24.63 8.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 74.12 110.869 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 61.63 18.07 9.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 71.31 110.871 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.641 ' O ' HD22 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -73.92 100.4 3.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.05 110.837 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.806 ' O ' HG23 ' A' ' 51' ' ' VAL . 15.9 m -53.46 159.66 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 62.34 110.852 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 p -46.85 -37.13 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 61.13 110.842 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.506 ' H ' HD12 ' A' ' 49' ' ' ILE . 5.3 mp -74.31 -40.95 50.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.166 -0.47 . . . . 64.53 111.084 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 100.0 m -64.61 -41.27 96.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 74.33 111.121 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 47' ' ' SER . 3.8 t -58.3 -49.7 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 73.34 111.145 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.46 -33.48 71.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 52.13 112.497 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -58.87 -46.05 88.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 64.32 110.888 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.92 -33.11 34.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.924 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 51' ' ' VAL . 17.2 t -59.87 -35.63 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 71.35 111.101 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -66.64 -33.62 76.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 64.13 110.907 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.415 ' HB3' HD13 ' A' ' 22' ' ' LEU . 7.5 tp10 -69.67 -36.14 75.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 63.13 110.828 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.637 ' HB2' HD12 ' A' ' 22' ' ' LEU . . . -69.83 -53.73 16.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 54.51 111.173 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.756 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -48.87 -44.53 39.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 61.2 111.141 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -59.39 -41.01 88.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 74.34 110.895 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.753 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -69.56 -38.64 77.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 74.11 111.136 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.686 ' HG3' HD22 ' A' ' 85' ' ' LEU . 46.9 mmm -71.47 -22.07 61.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 60.3 110.83 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.5 -11.77 21.37 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.774 -0.727 . . . . 70.14 112.515 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.756 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 10.5 mt -61.74 -164.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 75.1 110.926 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.6 t -168.8 -65.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 73.23 110.847 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.68 -10.42 40.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 61.44 111.103 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.464 ' O ' ' C ' ' A' ' 68' ' ' ALA . 19.1 t -64.88 -9.47 7.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 71.43 111.163 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 67' ' ' VAL . . . -32.14 108.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 53.2 111.1 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 6.8 mtp 68.13 85.36 0.14 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.562 0.696 . . . . 65.24 110.852 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 -45.96 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.633 2.222 . . . . 74.12 112.286 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.2 t -149.38 178.13 9.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.325 -0.398 . . . . 62.5 111.187 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -50.55 141.63 12.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 71.21 110.903 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.448 ' HA ' ' HB3' ' A' ' 76' ' ' ALA . 19.4 m-85 -120.94 -18.51 7.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 75.41 110.884 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.569 ' HA ' HD23 ' A' ' 41' ' ' LEU . . . -56.57 -19.57 16.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 62.11 111.142 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.9 t -123.79 9.36 8.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 73.41 111.178 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.448 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -106.73 153.51 22.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 74.24 111.145 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.808 HG22 ' HG2' ' A' ' 39' ' ' ARG . 20.7 p -104.31 170.93 7.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 24.03 111.104 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.048 HG11 HD11 ' A' ' 34' ' ' LEU . 32.8 m -51.84 -36.87 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 74.24 111.135 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -65.56 -39.87 92.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 64.44 110.892 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -64.63 -49.44 71.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 71.05 110.888 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 73' ' ' PHE . 36.1 ttm -62.66 -38.18 89.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 62.01 110.899 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.641 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -71.03 -50.14 37.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 74.05 111.098 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.32 -36.22 73.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 74.15 110.934 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.2 -37.9 78.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 72.12 111.093 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.686 HD22 ' HG3' ' A' ' 62' ' ' MET . 2.1 mt -72.9 -46.22 53.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 72.4 110.914 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -62.36 -33.58 75.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 71.03 110.86 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 73.41 111.09 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.575 ' HB3' ' HG2' ' A' ' 86' ' ' GLU . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.848 0.356 . . . . 73.04 111.132 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.528 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -66.0 -48.14 72.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 73.11 110.948 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.53 -33.09 66.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 75.22 110.945 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.763 HD11 ' HB3' ' A' ' 61' ' ' ALA . 5.1 tt -58.13 -52.36 65.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 70.23 110.93 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.674 HG21 ' HA ' ' A' ' 82' ' ' ALA . 2.1 t -60.53 -55.08 26.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 71.34 111.132 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.7 mtp-105 -57.62 -38.65 75.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 72.51 110.878 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.465 ' CE1' HG21 ' A' ' 31' ' ' VAL . 31.9 t60 -62.5 -58.86 6.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 71.52 110.842 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mt -56.21 -45.57 79.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 62.15 110.85 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 19' ' ' VAL . 86.9 t -61.72 -43.55 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 73.55 111.136 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.407 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -60.94 -47.84 84.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 74.04 111.044 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -60.46 -25.97 66.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 73.2 110.915 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -76.0 -22.07 56.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 73.23 110.92 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.18 7.91 45.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 71.11 111.113 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 61.84 65.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 75.3 110.839 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.838 HD22 HG21 ' A' ' 33' ' ' VAL . 33.6 mt -143.62 159.62 53.69 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.629 0.728 . . . . 71.31 110.92 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.741 ' HG2' HG13 ' A' ' 33' ' ' VAL . 53.5 Cg_endo -69.76 2.74 3.26 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.621 2.214 . . . . 74.51 112.3 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.547 ' HB ' ' O ' ' A' ' 30' ' ' PRO . 58.5 t 76.53 -42.31 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 75.23 111.133 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -18.13 30.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 53.12 110.922 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.838 HG21 HD22 ' A' ' 29' ' ' LEU . 6.4 m -91.35 -5.78 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 71.34 111.114 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.558 HD11 HG11 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -68.33 120.33 14.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 71.44 110.943 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -91.95 158.09 16.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 75.41 110.927 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.81 -24.88 59.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 64.32 110.897 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -104.61 18.53 22.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 75.3 110.897 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.751 ' O ' HG13 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -73.95 110.43 8.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 73.34 110.929 -179.811 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.18 159.68 30.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 74.02 110.904 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.69 ' HA ' HD12 ' A' ' 44' ' ' LEU . 54.4 m-85 -83.75 13.5 4.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 54.14 110.87 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 40' ' ' PHE . 1.2 mp -150.52 -42.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 54.33 110.929 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -56.93 -50.79 71.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 64.42 110.9 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.4 -52.14 2.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 75.44 110.86 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.69 HD12 ' HA ' ' A' ' 40' ' ' PHE . 55.5 mt -63.51 -24.0 67.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.986 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 48.88 56.27 7.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 54.21 110.884 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.3 mmm -114.35 126.6 55.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 74.52 110.816 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.783 ' O ' HG23 ' A' ' 51' ' ' VAL . 13.3 m -72.67 157.97 36.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 73.14 110.85 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 p -47.46 -38.12 13.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 74.12 110.867 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.51 ' H ' HD12 ' A' ' 49' ' ' ILE . 5.3 mp -74.72 -40.35 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 74.14 111.078 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.4 m -63.05 -38.6 91.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 64.15 111.077 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 47' ' ' SER . 3.6 t -61.9 -50.15 81.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 71.34 111.144 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.445 ' O ' HG12 ' A' ' 55' ' ' VAL . . . -58.07 -26.55 58.59 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.811 -0.709 . . . . 74.52 112.475 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -66.09 -47.26 74.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 64.51 110.947 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.625 HD11 HG22 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -82.33 -32.02 29.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 53.21 110.947 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.491 HG11 ' HG2' ' A' ' 69' ' ' MET . 0.3 OUTLIER -58.12 -29.1 36.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 65.25 111.149 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -69.66 -33.98 73.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 73.04 110.901 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -69.58 -36.56 76.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 72.01 110.852 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.95 -52.98 57.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 44.14 111.102 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.762 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -55.38 -41.81 73.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 63.31 111.035 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -42.48 84.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 61.22 110.825 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.763 ' HB3' HD11 ' A' ' 18' ' ' LEU . . . -69.1 -40.32 78.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 62.22 111.107 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.655 ' HG3' HD22 ' A' ' 85' ' ' LEU . 78.6 mmm -71.6 -11.59 60.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 71.22 110.843 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.78 39.51 7.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 71.31 112.451 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.762 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 10.3 mt -103.44 -166.95 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 74.44 110.92 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.0 t -161.96 -76.47 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 75.32 110.928 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.28 -12.75 59.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 73.34 111.067 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.555 HG11 HD13 ' A' ' 64' ' ' LEU . 84.1 t -63.3 -14.35 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 71.11 111.118 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -38.19 110.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 32.41 111.066 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.491 ' HG2' HG11 ' A' ' 55' ' ' VAL . 0.8 OUTLIER 66.4 80.67 0.22 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.603 0.716 . . . . 73.02 110.858 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -20.27 34.79 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.657 2.238 . . . . 71.23 112.381 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.0 t -178.15 167.33 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 74.22 111.197 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -48.41 143.36 4.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 74.25 110.892 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.5 ' CB ' HG11 ' A' ' 51' ' ' VAL . 51.1 m-85 -123.37 -8.51 8.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 74.3 110.897 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.416 ' HA ' HD11 ' A' ' 41' ' ' LEU . . . -65.2 -8.15 16.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 74.2 111.086 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -136.97 9.9 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 64.33 111.127 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -102.34 -179.31 3.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 70.22 111.099 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.95 169.3 14.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 63.12 111.129 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.751 HG13 ' O ' ' A' ' 38' ' ' SER . 22.1 m -52.75 -37.59 25.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 54.45 111.1 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -66.28 -37.51 85.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 74.53 110.86 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -65.72 -48.54 71.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 74.54 110.877 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 23.3 ttm -65.97 -43.39 88.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 74.22 110.897 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.674 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -67.06 -43.26 83.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 65.04 111.061 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.87 -40.96 85.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 73.51 110.83 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.06 -47.16 87.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 72.44 111.099 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.655 HD22 ' HG3' ' A' ' 62' ' ' MET . 3.6 mt -71.37 -36.46 71.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 74.33 110.976 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.575 ' HG2' ' HB3' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -64.73 -38.12 89.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 65.03 110.918 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 60.32 111.123 179.919 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.2 ptp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.781 0.324 . . . . 65.5 110.86 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.42 -33.0 7.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 55.02 111.086 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.39 166.07 15.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 75.45 110.863 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.89 -31.66 22.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 74.12 111.075 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.62 -64.29 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.877 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.6 t70 61.86 164.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 73.33 110.89 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -47.06 153.75 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 74.31 111.125 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 64.55 -167.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 63.34 111.114 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -65.68 146.22 98.99 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.656 0.741 . . . . 61.41 110.871 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -49.23 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.602 2.201 . . . . 75.14 112.374 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -132.51 -84.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 53.14 111.13 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.455 ' O ' HD13 ' A' ' 9' ' ' LEU . . . -85.76 -54.09 4.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 60.23 111.063 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.78 -49.14 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 71.22 111.162 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.29 116.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.728 -0.749 . . . . 62.53 112.485 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.75 -32.11 18.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.899 0.38 . . . . 22.4 111.156 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.52 HD22 ' HB1' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -58.54 -42.46 87.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.895 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -33.27 71.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 64.2 110.892 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.664 HD13 ' SD ' ' A' ' 62' ' ' MET . 1.8 tt -60.28 -52.6 64.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 64.52 110.941 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.708 HG21 ' HA ' ' A' ' 82' ' ' ALA . 2.2 t -63.34 -53.21 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 71.44 111.099 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -56.24 -39.85 73.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 65.34 110.895 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -63.54 -55.19 25.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 64.11 110.805 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.594 HD12 ' HB2' ' A' ' 58' ' ' ALA . 64.0 mt -57.08 -36.74 70.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.302 -0.408 . . . . 75.21 110.967 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.711 ' CG1' HD13 ' A' ' 44' ' ' LEU . 93.7 t -71.78 -48.07 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 71.55 111.109 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.411 ' HA ' HD23 ' A' ' 34' ' ' LEU . . . -57.79 -49.68 75.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 74.33 111.055 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.86 -31.22 72.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 72.43 110.885 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.515 ' HB2' ' HE1' ' A' ' 46' ' ' MET . 1.3 mmp_? -78.77 -16.59 57.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 73.51 110.96 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.19 6.13 49.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 73.44 111.078 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 70.17 35.66 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 74.02 110.827 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.5 161.7 32.64 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.646 0.736 . . . . 71.44 110.878 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 162.37 42.3 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.687 2.258 . . . . 63.3 112.342 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 31' ' ' VAL . 10.0 p -82.11 -14.08 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 70.22 111.108 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.15 -19.51 43.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 65.41 110.859 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 p -102.34 -5.08 9.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 72.21 111.146 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.849 HD11 HG11 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -68.96 118.91 12.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 71.45 110.866 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -81.02 148.15 29.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 61.24 110.82 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.52 -22.73 60.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 73.21 110.843 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -103.18 17.65 23.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 71.24 110.841 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.5 p -80.3 111.2 16.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.914 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -68.62 156.83 37.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 71.12 110.905 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.519 ' HA ' HD12 ' A' ' 44' ' ' LEU . 54.2 m-85 -81.7 24.9 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 71.13 110.869 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.3 mt -160.05 -42.72 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 73.24 110.892 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -61.5 -44.07 97.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 71.03 110.831 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.59 -60.23 1.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 72.42 110.853 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.711 HD13 ' CG1' ' A' ' 23' ' ' VAL . 16.7 mt -55.21 -25.21 31.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 74.31 110.931 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.0 m80 50.23 68.22 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 75.31 110.848 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.601 ' CE ' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -124.1 105.16 9.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 54.44 110.879 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.807 ' O ' HG23 ' A' ' 51' ' ' VAL . 21.8 m -56.14 158.23 4.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 72.45 110.878 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.6 p -47.72 -39.43 17.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 62.23 110.868 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 41.6 mm -73.8 -38.48 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 75.21 111.162 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.1 m -65.58 -42.2 92.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 75.33 111.151 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 47' ' ' SER . 3.8 t -58.41 -49.75 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 74.1 111.13 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.39 -28.29 59.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 53.4 112.488 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -65.82 -44.99 83.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.813 0.339 . . . . 63.35 110.897 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.21 -32.76 33.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 71.31 110.933 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.3 t -59.65 -36.1 63.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 53.13 111.165 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -67.18 -32.25 73.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 64.4 110.879 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -69.69 -34.49 74.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 72.45 110.918 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.594 ' HB2' HD12 ' A' ' 22' ' ' LEU . . . -68.76 -52.06 34.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 74.04 111.011 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.54 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -51.71 -40.11 59.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 34.45 111.128 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -44.65 92.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 73.31 110.848 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.664 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -69.25 -40.81 77.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 32.42 111.111 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.664 ' SD ' HD13 ' A' ' 18' ' ' LEU . 44.0 mmm -72.34 -8.33 54.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 43.14 110.881 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.41 ' C ' HD23 ' A' ' 64' ' ' LEU . . . 74.82 46.75 16.47 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.713 -0.756 . . . . 73.13 112.485 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.582 HD13 HG11 ' A' ' 67' ' ' VAL . 6.3 mt -108.69 -163.9 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.819 0.342 . . . . 54.12 110.909 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.6 t -158.19 -76.03 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 74.44 110.826 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.49 -13.09 59.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 42.52 111.095 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.611 HG13 ' HD3' ' A' ' 88' ' ' ARG . 69.7 t -60.26 -17.44 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 71.4 111.097 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.51 106.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 61.34 111.071 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.3 mtp 64.91 84.44 0.18 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.573 0.702 . . . . 75.5 110.848 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 -37.9 8.35 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.65 2.233 . . . . 64.42 112.4 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.7 t -160.22 177.13 10.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 74.14 111.12 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -51.52 140.09 18.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 75.52 110.868 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.496 ' CB ' HG11 ' A' ' 51' ' ' VAL . 30.7 m-85 -118.24 -15.79 9.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 52.44 110.855 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.51 -18.55 11.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 42.23 111.134 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.5 t -126.88 11.09 7.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 54.11 111.102 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.437 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -104.32 170.53 7.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 55.43 111.136 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.9 p -121.69 171.21 9.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 44.44 111.091 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.849 HG11 HD11 ' A' ' 34' ' ' LEU . 33.2 m -54.72 -37.61 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 71.5 111.059 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -64.25 -39.43 93.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 73.5 110.86 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -68.6 -48.73 63.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 41.04 110.864 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 35.1 ttm -62.27 -41.9 98.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 72.43 110.823 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.708 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -68.56 -42.47 78.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 74.54 111.069 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.63 -44.38 86.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 61.03 110.886 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.33 94.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 65.14 111.068 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.538 HD12 ' CG2' ' A' ' 19' ' ' VAL . 14.9 mt -70.1 -44.85 68.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 73.34 110.892 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -32.08 73.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.935 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.85 -45.98 76.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 74.1 111.082 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.611 ' HD3' HG13 ' A' ' 67' ' ' VAL . 0.6 OUTLIER -58.94 -55.91 29.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 75.11 110.852 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -59.96 -32.99 71.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 72.44 110.86 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -61.39 -28.57 69.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 73.21 110.841 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -145.91 57.95 1.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 53.44 110.88 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 93' ' ' PRO . . . -101.94 160.42 26.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.528 0.68 . . . . 71.12 111.141 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 92' ' ' ALA . 54.0 Cg_endo -69.77 -174.54 0.93 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.662 2.242 . . . . 70.13 112.363 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -96.1 44.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 72.01 110.846 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.9 tt -110.57 155.41 22.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 70.32 110.898 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -158.12 159.92 36.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 75.21 110.803 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -167.12 163.15 15.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 74.23 110.884 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -107.86 -63.35 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 54.54 110.877 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 60.47 96.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 65.01 110.919 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -106.52 -171.49 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 74.41 110.88 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 62.24 94.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 61.15 110.898 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.9 p-80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 71.31 110.827 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpp? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.781 0.324 . . . . 74.33 110.809 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -175.31 163.14 3.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 72.21 111.089 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.25 179.71 0.78 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.468 . . . . 74.03 110.854 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.49 -29.51 61.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 52.41 111.035 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -90.7 7.25 40.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.254 -0.43 . . . . 72.5 110.93 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 49.02 -165.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 70.51 110.883 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.441 HG21 ' O ' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -52.35 102.35 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 72.54 111.205 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 62.51 -89.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 55.24 111.045 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.08 148.04 44.17 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 74.2 110.975 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -7.41 20.99 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.718 2.279 . . . . 64.23 112.335 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 64.66 49.09 2.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 75.43 111.103 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.46 -0.08 48.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 71.21 111.104 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.3 m -43.46 -56.05 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 71.33 111.182 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 120.79 -88.61 0.43 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.774 -0.727 . . . . 63.1 112.549 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.35 -35.18 75.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.361 . . . . 73.44 111.1 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.552 HD22 ' HB1' ' A' ' 82' ' ' ALA . 1.0 OUTLIER -71.43 -46.13 60.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 75.22 110.933 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -69.4 -33.49 73.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.35 110.842 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.696 HD11 ' CB ' ' A' ' 61' ' ' ALA . 4.4 tt -67.17 -52.7 38.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 71.31 110.904 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.773 HG21 ' HA ' ' A' ' 82' ' ' ALA . 5.9 t -65.19 -45.38 94.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 72.35 111.098 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.5 -39.86 94.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 74.24 110.895 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -63.61 -55.71 21.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 73.34 110.84 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.461 HD13 ' HB3' ' A' ' 57' ' ' GLU . 96.4 mt -57.37 -35.85 70.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.934 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.614 HG13 HD13 ' A' ' 44' ' ' LEU . 2.1 t -71.89 -48.26 51.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 75.22 111.164 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.72 -48.24 81.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 70.3 111.126 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.94 -28.43 69.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 61.34 110.89 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.53 -24.91 45.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 70.55 110.869 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.37 14.99 14.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 74.12 111.127 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 59.96 40.64 18.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 72.31 110.856 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.1 mt -147.58 159.32 41.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.566 0.698 . . . . 72.41 110.921 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 157.1 61.35 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.568 2.179 . . . . 74.43 112.354 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.419 ' O ' HG22 ' A' ' 31' ' ' VAL . 8.8 p -77.34 -14.04 14.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 73.33 111.125 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.441 ' O ' HG21 ' A' ' 7' ' ' THR . 0.0 OUTLIER -82.45 -20.53 36.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 44.03 110.881 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.1 p -101.7 -1.93 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.503 . . . . 63.04 111.064 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.833 HD11 HG11 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -69.31 121.01 16.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 64.14 110.882 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -79.57 146.67 32.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 75.4 110.88 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.2 -27.22 61.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 71.13 110.878 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -101.9 18.27 21.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.443 . . . . 71.14 110.881 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.26 139.32 44.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 74.21 110.928 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -94.64 156.37 16.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 70.04 110.862 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.523 ' HA ' HD12 ' A' ' 44' ' ' LEU . 42.9 m-85 -83.41 23.56 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 70.34 110.91 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.446 HD12 ' O ' ' A' ' 74' ' ' ALA . 13.9 mt -157.41 -41.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 72.43 110.924 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -58.28 -52.42 65.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 61.32 110.899 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.79 -55.94 2.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.864 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.614 HD13 HG13 ' A' ' 23' ' ' VAL . 26.6 mt -57.55 -25.61 60.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 72.45 110.957 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 41' ' ' LEU . 13.5 t-80 48.37 73.46 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 73.13 110.84 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -130.27 112.26 13.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 55.1 110.9 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.752 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.6 m -60.41 160.46 8.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 43.01 110.859 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -48.53 -38.19 19.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 72.22 110.876 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.8 mm -74.47 -39.54 48.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 74.43 111.13 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.5 m -63.62 -38.44 91.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 73.24 111.155 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 47' ' ' SER . 6.1 t -63.27 -49.18 84.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 72.42 111.101 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.61 -28.45 56.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 54.35 112.46 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -66.74 -43.84 83.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.345 . . . . 72.33 110.925 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.07 -33.06 33.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 64.35 110.879 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.6 t -58.63 -35.42 55.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 75.03 111.137 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -66.83 -32.88 74.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 74.1 110.889 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.461 ' HB3' HD13 ' A' ' 22' ' ' LEU . 32.4 tp10 -70.44 -34.01 71.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 74.04 110.95 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.09 -51.18 49.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 64.4 111.112 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.796 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -60.31 -36.08 77.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 73.14 111.106 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -44.83 93.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 72.13 110.903 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.696 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -69.21 -37.95 78.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 53.15 111.097 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.424 ' HB2' ' HG ' ' A' ' 64' ' ' LEU . 99.6 mmm -71.84 -22.53 61.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.925 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.96 17.29 38.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 75.41 112.433 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.796 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 7.1 mt -75.72 -165.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 73.41 110.937 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.0 t -159.11 -76.81 0.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.24 -0.436 . . . . 65.2 110.788 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.04 -12.61 59.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 63.03 111.092 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.548 HG11 HD13 ' A' ' 64' ' ' LEU . 93.6 t -60.7 -16.61 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.31 111.136 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.64 106.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 71.15 111.107 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.0 mtp 64.51 82.99 0.2 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.533 0.682 . . . . 64.55 110.899 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -24.47 29.49 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.655 2.237 . . . . 63.33 112.287 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.0 t -175.79 174.98 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 50.25 111.149 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -50.07 140.24 12.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 74.24 110.947 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.524 ' CB ' HG11 ' A' ' 51' ' ' VAL . 30.1 m-85 -119.09 -19.0 8.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 71.43 110.83 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.446 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -54.74 -19.09 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 60.33 111.095 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.4 t -124.34 10.98 8.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 73.32 111.138 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -105.38 172.67 6.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 50.04 111.06 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.8 p -120.61 168.43 11.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 64.41 111.128 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.833 HG11 HD11 ' A' ' 34' ' ' LEU . 6.1 m -54.24 -35.41 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 42.1 111.127 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.12 -38.88 89.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 72.22 110.891 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -67.52 -48.56 66.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 73.33 110.874 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 37.0 ttm -62.7 -43.62 98.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 72.13 110.89 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.773 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -68.55 -42.86 77.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 73.14 111.102 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -66.97 -36.5 82.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 60.44 110.841 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.14 91.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 72.45 111.015 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.66 HD12 ' CG2' ' A' ' 19' ' ' VAL . 89.6 mt -69.98 -44.54 69.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.413 . . . . 75.23 110.911 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -32.5 74.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 73.13 110.93 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.59 -41.57 88.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 71.1 111.151 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.444 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 0.5 OUTLIER -61.55 -54.26 45.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 64.2 110.89 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.401 ' CG ' HD21 ' A' ' 64' ' ' LEU . 2.0 mt-10 -63.44 -32.68 74.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.251 -0.431 . . . . 64.04 110.896 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -61.27 -25.95 67.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 73.35 110.859 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -162.62 70.19 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 74.53 110.892 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 93' ' ' PRO . . . -97.17 160.52 28.78 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 53.04 111.054 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 92' ' ' ALA . 53.9 Cg_endo -69.77 -171.85 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.664 2.243 . . . . 54.11 112.394 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -97.52 42.09 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.422 . . . . 62.21 110.895 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.2 178.55 5.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 75.25 110.967 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -154.82 -64.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 60.13 110.902 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 62.97 96.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 74.13 110.842 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 55.99 -174.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 75.32 110.878 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -139.0 115.88 10.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 62.44 110.843 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.14 150.63 23.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 55.44 110.854 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -167.7 32.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 75.31 110.888 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 74.23 110.862 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.5 mtt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.817 0.342 . . . . 35.53 110.904 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.49 -70.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 62.4 111.04 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.79 33.38 2.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 74.2 110.806 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.15 -26.27 23.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 64.43 111.084 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.34 -72.11 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 75.21 110.874 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.6 t70 60.96 167.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 72.21 110.905 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -45.58 159.14 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 74.3 111.096 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 64.65 -161.91 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 65.31 111.053 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.39 151.33 91.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.562 0.696 . . . . 74.34 110.929 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -34.94 13.57 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.677 2.251 . . . . 64.23 112.374 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.456 ' HB3' HG22 ' A' ' 13' ' ' THR . . . -175.65 179.0 1.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 74.52 111.095 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 13' ' ' THR . . . -82.86 0.37 44.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 64.33 111.093 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.469 HG23 ' HB3' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -31.41 -63.63 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 70.44 111.117 -179.835 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.404 ' H ' HG23 ' A' ' 13' ' ' THR . . . 110.84 -84.56 0.37 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 64.14 112.479 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.413 ' HB2' ' HE1' ' A' ' 62' ' ' MET . . . -62.57 -39.64 94.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 44.5 111.084 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.62 -45.44 71.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 60.12 110.909 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HB3' HG23 ' A' ' 13' ' ' THR . 8.4 pt-20 -70.48 -33.74 71.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 63.22 110.894 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.773 HD11 ' HB3' ' A' ' 61' ' ' ALA . 8.6 tt -62.96 -52.76 61.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 63.24 110.953 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.754 HG21 ' HA ' ' A' ' 82' ' ' ALA . 2.3 t -63.09 -50.74 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 73.41 111.12 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -58.43 -39.4 79.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.828 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -63.74 -54.68 31.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 71.34 110.843 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.488 HD13 ' HB3' ' A' ' 57' ' ' GLU . 57.6 mt -56.67 -36.06 69.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 64.01 110.828 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.567 HG21 ' HE1' ' A' ' 40' ' ' PHE . 1.5 t -72.27 -49.48 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 54.55 111.046 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.72 -48.16 78.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 74.41 111.162 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -63.8 -26.34 68.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 73.43 110.909 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.456 ' HB2' ' HE1' ' A' ' 46' ' ' MET . 1.2 mmp_? -79.19 -29.0 42.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 64.44 110.895 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.49 10.93 20.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 74.42 111.104 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 63.23 27.31 15.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 73.1 110.845 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.8 mt -128.59 157.96 73.41 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.515 0.674 . . . . 73.14 110.968 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 148.63 65.38 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.657 2.238 . . . . 71.31 112.318 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.431 ' O ' HG22 ' A' ' 31' ' ' VAL . 8.0 p -70.96 -13.41 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 75.23 111.125 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.51 -19.92 37.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.3 110.868 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -103.6 -3.56 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 65.12 111.155 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.837 HD11 HG11 ' A' ' 78' ' ' VAL . 0.3 OUTLIER -69.41 120.23 14.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 75.53 110.868 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.98 144.97 32.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 65.41 110.921 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -72.36 -26.26 61.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.33 110.92 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -98.95 17.65 19.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 63.22 110.889 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.64 131.99 39.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 62.45 110.842 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -86.04 159.03 19.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 75.52 110.794 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.567 ' HE1' HG21 ' A' ' 23' ' ' VAL . 48.1 m-85 -86.3 23.01 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 70.14 110.839 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.422 HD21 ' HA ' ' A' ' 47' ' ' SER . 13.0 mt -156.8 -42.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 74.44 110.884 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -60.01 -52.06 67.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.881 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.06 -58.1 2.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 43.34 110.847 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 40' ' ' PHE . 25.4 mt -57.47 -24.56 56.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 44.24 110.926 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 37.2 t60 48.53 63.95 1.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.53 110.86 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.456 ' HE1' ' HB2' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -121.67 105.92 10.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 71.3 110.916 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.805 ' O ' HG23 ' A' ' 51' ' ' VAL . 45.7 m -55.52 161.9 1.82 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 62.32 110.874 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -47.21 -39.32 13.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 34.33 110.883 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 42.5 mm -74.35 -40.66 49.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 70.41 111.096 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.8 m -62.76 -38.83 92.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 71.1 111.111 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 47' ' ' SER . 3.9 t -63.48 -49.34 83.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 63.13 111.138 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.432 ' O ' HG12 ' A' ' 55' ' ' VAL . . . -58.17 -27.66 60.42 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.765 -0.731 . . . . 43.01 112.452 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -64.27 -47.73 78.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 54.41 110.932 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.411 ' C ' HD12 ' A' ' 54' ' ' LEU . 0.8 OUTLIER -82.13 -32.29 30.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 53.12 110.906 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.517 HG11 ' HG2' ' A' ' 69' ' ' MET . 0.3 OUTLIER -58.96 -28.73 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 73.54 111.138 179.809 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -69.31 -41.91 76.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 73.01 110.924 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.488 ' HB3' HD13 ' A' ' 22' ' ' LEU . 3.4 tp10 -62.02 -35.61 79.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 72.05 110.883 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.603 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -61.24 -51.78 67.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 73.21 111.174 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.652 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -59.6 -35.36 74.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 33.34 111.074 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -46.02 90.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 74.14 110.868 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.773 ' HB3' HD11 ' A' ' 18' ' ' LEU . . . -69.45 -39.44 77.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 64.33 111.115 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.413 ' HE1' ' HB2' ' A' ' 15' ' ' ALA . 74.6 mmm -70.52 -21.62 62.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 72.42 110.874 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.64 32.85 12.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.746 . . . . 72.31 112.518 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.652 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 6.6 mt -91.99 -165.89 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 54.12 110.902 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.6 t -157.5 -77.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.812 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.32 -12.93 60.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.53 111.063 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.622 HG21 HD13 ' A' ' 64' ' ' LEU . 57.7 t -61.62 -16.24 14.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 62.43 111.102 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.8 107.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 74.05 111.064 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.517 ' HG2' HG11 ' A' ' 55' ' ' VAL . 1.5 mtp 65.22 81.81 0.21 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.59 0.709 . . . . 71.53 110.861 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -29.72 23.31 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.725 2.283 . . . . 63.41 112.337 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.7 t -170.7 176.7 4.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 74.34 111.132 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -50.37 143.03 9.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 70.51 110.849 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.456 ' CB ' HG11 ' A' ' 51' ' ' VAL . 32.7 m-85 -122.34 -17.58 7.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 75.43 110.929 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.22 -19.03 7.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 71.4 111.137 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 t -124.57 10.88 8.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 61.31 111.121 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.408 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -105.83 169.1 8.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 60.55 111.092 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 29.1 p -119.28 172.14 7.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 74.55 111.099 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.837 HG11 HD11 ' A' ' 34' ' ' LEU . 21.3 m -53.9 -36.82 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 64.12 111.065 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.433 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 0.7 OUTLIER -65.67 -43.26 89.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 75.52 110.835 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.65 -48.66 78.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.86 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 27.5 ttm -64.08 -36.62 84.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 73.35 110.902 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.754 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -69.17 -51.34 39.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 52.01 111.029 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 79' ' ' ARG . 24.4 pt-20 -59.84 -35.97 75.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 54.21 110.921 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.62 85.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 65.2 111.075 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.47 HD12 ' CG2' ' A' ' 19' ' ' VAL . 40.1 mt -72.35 -44.73 62.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 63.05 110.89 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -62.17 -36.69 82.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 74.02 110.911 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.39 -39.96 94.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 31.41 111.062 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.27 -54.92 37.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 72.5 110.791 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -59.92 -32.41 70.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 53.0 110.934 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -60.97 -26.13 67.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 62.54 110.844 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -139.39 50.92 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 72.42 110.921 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.575 ' HB1' ' HD2' ' A' ' 93' ' ' PRO . . . -105.23 160.48 25.85 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.568 0.699 . . . . 72.22 111.057 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' A' ' 92' ' ' ALA . 53.8 Cg_endo -69.77 -173.13 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.246 . . . . 72.11 112.321 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -103.89 47.61 0.87 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 71.13 110.84 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.51 -32.08 9.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 71.24 110.937 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -162.29 145.04 11.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 72.42 110.901 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -148.75 -53.76 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 62.54 110.901 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -111.71 130.59 55.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 62.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -173.76 125.59 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 72.4 110.883 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 27.0 p80 -174.96 143.57 0.72 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.446 . . . . 74.2 110.812 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -178.1 165.98 1.94 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 63.41 110.878 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 73.25 110.902 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.8 mtp . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.847 0.356 . . . . 72.41 110.839 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -176.52 -38.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 72.13 111.133 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.91 175.59 6.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 62.24 110.801 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.58 -24.48 45.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 73.01 111.133 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -52.53 141.71 19.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 75.13 110.891 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.484 ' CB ' ' HB3' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -88.76 -167.76 1.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 75.02 110.87 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.402 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -50.35 117.74 2.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 75.33 111.168 -179.819 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 7' ' ' THR . . . 66.34 -82.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 35.42 111.111 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mp -87.46 156.01 53.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.597 0.713 . . . . 70.11 110.907 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 64.7 1.81 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.661 2.241 . . . . 71.24 112.353 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.484 ' HB3' ' CB ' ' A' ' 6' ' ' ASP . . . -78.39 71.54 4.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 51.44 111.106 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.85 -1.98 53.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 63.11 111.105 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 t -49.7 -38.07 31.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 72.31 111.153 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.17 -67.08 3.34 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.747 -0.74 . . . . 72.34 112.532 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.417 ' HB3' ' HG2' ' A' ' 86' ' ' GLU . . . -59.68 -51.01 71.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.735 0.302 . . . . 73.04 111.054 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.647 HD22 ' HB1' ' A' ' 82' ' ' ALA . 1.3 mm? -69.06 -34.38 75.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 73.41 110.874 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -34.34 73.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 74.31 110.843 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.726 HD11 ' CB ' ' A' ' 61' ' ' ALA . 3.8 tt -67.32 -52.94 34.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.179 -0.464 . . . . 73.34 110.88 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.751 HG21 ' HA ' ' A' ' 82' ' ' ALA . 3.8 t -63.4 -49.91 80.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 64.5 111.18 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.615 ' HD2' HD12 ' A' ' 16' ' ' LEU . 34.5 mtp180 -58.88 -39.88 82.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 73.51 110.925 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -63.99 -51.76 62.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 74.04 110.796 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.593 HD13 ' HB3' ' A' ' 57' ' ' GLU . 44.4 mt -57.79 -36.17 71.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 62.34 110.897 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.539 HG22 ' HE1' ' A' ' 46' ' ' MET . 0.9 OUTLIER -72.35 -44.94 62.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 75.23 111.094 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.418 ' N ' HG12 ' A' ' 23' ' ' VAL . . . -59.82 -48.06 83.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 74.45 111.099 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -64.65 -28.52 69.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 74.45 110.909 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.74 -17.7 52.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 73.45 110.872 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.3 13.64 34.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 62.53 111.121 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 55.47 46.16 23.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 74.01 110.838 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.87 HD11 HD23 ' A' ' 34' ' ' LEU . 3.9 pp -147.61 157.14 44.96 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.63 0.728 . . . . 73.23 110.913 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.537 ' O ' HG12 ' A' ' 33' ' ' VAL . 52.9 Cg_endo -69.77 135.75 31.22 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.643 2.228 . . . . 74.33 112.367 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.01 -16.7 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 70.14 111.124 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.9 -19.66 57.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 74.4 110.947 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' ' 30' ' ' PRO . 1.4 p -104.65 -0.89 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 73.24 111.071 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.87 HD23 HD11 ' A' ' 29' ' ' LEU . 1.2 tm? -69.17 120.42 14.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.907 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.493 ' O ' HD13 ' A' ' 34' ' ' LEU . 1.4 mmm180 -80.62 150.32 29.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 73.33 110.905 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.14 -25.67 60.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 73.44 110.939 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -99.9 18.25 18.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 73.24 110.845 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.1 p -72.97 122.47 21.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 54.13 110.866 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.405 ' HB2' ' H ' ' A' ' 42' ' ' ASP . 5.5 mtp180 -84.62 152.24 23.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.798 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.499 ' HE1' HG21 ' A' ' 23' ' ' VAL . 24.6 m-85 -79.54 25.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 74.21 110.867 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.53 HD12 ' O ' ' A' ' 74' ' ' ALA . 12.8 mt -159.3 -43.24 0.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 75.21 110.889 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.405 ' H ' ' HB2' ' A' ' 39' ' ' ARG . 39.6 t0 -57.04 -56.11 25.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 64.42 110.831 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.39 -56.18 2.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 73.54 110.869 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.456 HD13 HG13 ' A' ' 23' ' ' VAL . 27.1 mt -55.89 -25.52 43.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 72.01 110.92 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.0 t60 48.06 79.39 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 74.42 110.837 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.539 ' HE1' HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -135.82 109.2 7.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 54.34 110.839 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.753 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.7 m -57.79 159.84 5.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.857 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 p -48.23 -37.85 17.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 74.54 110.772 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.512 ' H ' HD12 ' A' ' 49' ' ' ILE . 5.3 mp -74.5 -40.66 48.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 71.35 111.156 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.5 m -62.95 -37.62 87.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 53.52 111.168 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 47' ' ' SER . 6.2 t -64.17 -49.3 81.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 55.31 111.183 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.68 -28.21 56.34 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.766 -0.731 . . . . 74.11 112.521 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -67.02 -44.54 80.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 73.14 110.94 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.94 -32.44 34.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 74.52 110.997 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.2 t -58.05 -35.05 50.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 75.25 111.141 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -66.75 -31.24 71.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 62.22 110.874 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.593 ' HB3' HD13 ' A' ' 22' ' ' LEU . 12.6 tp10 -70.58 -34.12 71.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 75.34 110.85 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.492 ' HB2' HD12 ' A' ' 22' ' ' LEU . . . -67.65 -52.45 37.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 73.42 111.128 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.734 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -58.18 -38.15 76.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 65.13 111.125 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -42.22 94.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 72.5 110.819 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.726 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -68.77 -41.45 78.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 73.23 111.099 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.561 ' SD ' HD13 ' A' ' 18' ' ' LEU . 10.9 mmm -71.24 -21.52 62.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 60.24 110.894 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.98 2.37 56.04 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.757 -0.735 . . . . 70.24 112.464 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.734 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 18.4 mt -66.49 -163.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 63.32 110.916 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.9 p -167.0 -76.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 53.2 110.863 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.55 -12.87 61.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 75.22 111.096 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.591 HG11 HD13 ' A' ' 64' ' ' LEU . 99.6 t -62.37 -15.32 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 70.53 111.112 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 67' ' ' VAL . . . -37.14 105.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 74.34 111.116 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.3 mtp 62.31 82.27 0.22 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 72.51 110.89 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -22.23 32.37 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.617 2.211 . . . . 53.32 112.415 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.0 t -176.49 171.33 2.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 52.13 111.179 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -48.95 139.51 10.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 73.22 110.9 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.514 ' CB ' HG11 ' A' ' 51' ' ' VAL . 30.4 m-85 -119.16 -19.93 8.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 65.42 110.87 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.53 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -54.13 -19.67 5.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 61.15 111.118 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.7 t -123.38 10.89 9.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 72.44 111.119 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.43 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -107.17 173.81 6.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 51.22 111.151 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.0 p -123.71 169.5 11.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 53.03 111.115 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.695 HG11 HD11 ' A' ' 34' ' ' LEU . 35.5 m -52.44 -37.16 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 55.25 111.148 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.59 -38.74 92.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 74.31 110.891 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -68.47 -48.34 64.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 60.04 110.881 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.403 ' HE3' ' CE1' ' A' ' 40' ' ' PHE . 40.3 ttm -62.79 -43.47 98.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 71.14 110.874 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.751 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -68.92 -43.88 74.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 75.53 111.063 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.8 -40.83 89.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 71.55 110.884 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.43 -48.17 82.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 73.13 111.126 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.527 HD12 ' CG2' ' A' ' 19' ' ' VAL . 44.4 mt -72.16 -31.98 66.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 74.23 110.947 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.417 ' HG2' ' HB3' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -60.78 -47.08 87.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 63.54 110.83 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.91 -40.78 81.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 73.14 111.106 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.475 ' HD3' HG21 ' A' ' 67' ' ' VAL . 13.0 mtp85 -59.95 -54.27 48.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 72.15 110.826 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -62.93 -32.97 74.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 75.44 110.855 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -61.17 -28.63 69.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 73.11 110.855 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.47 35.99 4.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 75.31 110.877 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.576 ' HB1' ' HD2' ' A' ' 93' ' ' PRO . . . -71.32 160.44 82.52 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.614 0.721 . . . . 74.54 111.053 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.576 ' HD2' ' HB1' ' A' ' 92' ' ' ALA . 53.4 Cg_endo -69.71 89.85 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.681 2.254 . . . . 63.11 112.319 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -120.14 177.24 5.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 65.51 110.906 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.73 -32.16 70.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.224 -0.444 . . . . 65.12 110.912 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.75 177.28 4.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 73.31 110.874 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -159.6 -73.02 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 71.42 110.887 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -76.97 135.84 38.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.938 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.52 -42.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 74.43 110.912 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -169.43 158.37 7.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 71.13 110.846 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -98.62 -29.7 12.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 72.02 110.85 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 9.7 t60 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 71.15 110.83 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.771 0.319 . . . . 64.43 110.862 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.61 116.2 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 74.23 111.116 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.494 ' O ' HG23 ' A' ' 7' ' ' THR . 61.8 mtt180 -151.49 163.16 39.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 75.21 110.896 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.568 ' HB1' ' H ' ' A' ' 11' ' ' ALA . . . -73.91 -40.38 63.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 62.35 111.148 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -68.11 -14.41 62.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 74.42 110.919 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -102.5 -50.34 3.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 61.33 110.834 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 3' ' ' ARG . 21.0 p -51.02 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 53.34 111.187 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -147.96 -79.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 72.11 111.091 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.521 ' O ' ' HB1' ' A' ' 4' ' ' ALA . 4.4 mm? -87.67 122.89 70.17 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.602 0.715 . . . . 74.42 110.938 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 64.76 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.703 2.269 . . . . 73.3 112.305 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.568 ' H ' ' HB1' ' A' ' 4' ' ' ALA . . . 51.48 66.99 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 72.05 111.131 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.78 -40.64 20.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 71.35 111.12 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.53 HG21 ' HB3' ' A' ' 16' ' ' LEU . 5.1 m -58.18 -64.49 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 63.44 111.158 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 122.76 -111.94 1.85 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.749 -0.738 . . . . 53.14 112.494 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.84 -43.15 90.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 72.21 111.127 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.53 ' HB3' HG21 ' A' ' 13' ' ' THR . 0.2 OUTLIER -57.86 -46.97 84.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 71.4 110.894 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -32.96 68.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 61.41 110.922 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.699 HD11 ' CB ' ' A' ' 61' ' ' ALA . 1.5 tt -60.26 -53.52 56.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 73.33 110.975 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.711 HG21 ' HA ' ' A' ' 82' ' ' ALA . 4.4 t -60.91 -53.49 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 53.1 111.189 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.7 mtp85 -56.83 -38.37 72.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 75.02 110.871 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -67.47 -54.42 20.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 52.3 110.81 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.503 HD13 ' HB3' ' A' ' 57' ' ' GLU . 63.3 mt -57.28 -40.49 77.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 63.31 110.975 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 19' ' ' VAL . 68.7 t -72.02 -48.61 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 62.21 111.117 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.45 -48.37 74.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 53.54 111.121 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.45 -25.11 67.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 64.33 110.857 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.47 -25.44 50.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.87 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.44 11.12 24.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 52.43 111.085 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.77 39.34 6.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 72.44 110.89 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.515 HD22 HG21 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -147.27 159.45 42.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.635 0.731 . . . . 74.11 110.877 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.64 ' O ' HG22 ' A' ' 33' ' ' VAL . 53.2 Cg_endo -69.83 156.26 63.61 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.717 2.278 . . . . 70.23 112.299 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 31' ' ' VAL . 13.0 p -74.51 -6.27 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 43.22 111.163 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.26 -24.38 37.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 64.24 110.885 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 30' ' ' PRO . 24.4 m -92.52 -12.35 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 64.31 111.146 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.937 HD11 HG11 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -69.83 121.44 17.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 75.22 110.947 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -99.61 157.14 16.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 62.42 110.897 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -72.1 -15.36 62.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.909 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -108.56 17.64 21.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 73.44 110.891 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.449 ' O ' HG13 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -85.44 94.11 8.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 62.22 110.901 -179.766 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.449 ' HA ' HG22 ' A' ' 77' ' ' THR . 2.7 mtp180 -50.73 160.39 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 74.4 110.895 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.668 ' HA ' HD12 ' A' ' 44' ' ' LEU . 65.1 m-85 -83.15 18.42 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 74.03 110.927 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 40' ' ' PHE . 1.0 OUTLIER -152.7 -32.42 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 74.43 110.92 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -74.01 -61.88 1.7 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 70.55 110.867 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.39 0.89 31.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.163 -0.471 . . . . 64.12 110.853 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 40' ' ' PHE . 96.2 mt -121.2 -24.64 5.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 65.54 110.9 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 41' ' ' LEU . 7.8 t-80 47.03 50.29 14.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 62.45 110.853 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.1 mmm -107.7 127.57 53.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 73.35 110.943 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.796 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.8 m -72.3 154.34 41.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 64.01 110.841 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 p -47.37 -38.64 13.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 63.32 110.877 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.9 mm -74.17 -42.0 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 53.42 111.166 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 82.3 m -60.73 -37.04 80.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 45.24 111.16 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 47' ' ' SER . 4.1 t -61.86 -49.79 82.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 64.43 111.108 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.457 ' O ' HG12 ' A' ' 55' ' ' VAL . . . -58.55 -26.85 60.3 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.739 -0.744 . . . . 50.35 112.503 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -65.95 -46.91 76.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 54.13 110.897 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.449 HD11 HG22 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -82.48 -31.96 29.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 71.54 110.939 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.557 HG11 ' HG2' ' A' ' 69' ' ' MET . 0.3 OUTLIER -58.06 -28.56 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 74.42 111.171 179.779 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -69.9 -39.0 76.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 71.22 110.835 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.503 ' HB3' HD13 ' A' ' 22' ' ' LEU . 11.5 tp10 -61.38 -34.9 76.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 72.21 110.941 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.433 ' HB2' HD12 ' A' ' 22' ' ' LEU . . . -65.59 -52.62 50.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 53.4 111.113 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.407 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -52.11 -39.26 59.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 63.02 111.148 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -44.73 94.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 70.32 110.889 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.699 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -69.2 -42.49 75.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 44.21 111.137 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.653 ' SD ' HD13 ' A' ' 18' ' ' LEU . 65.7 mmm -71.61 -9.17 57.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 60.05 110.953 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.3 50.76 20.26 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 52.44 112.415 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.593 HD13 HG11 ' A' ' 67' ' ' VAL . 9.0 mt -108.92 -164.44 0.94 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.848 0.356 . . . . 74.11 110.911 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.0 t -157.73 -75.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 54.21 110.924 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.39 -13.87 59.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 63.31 111.081 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.604 HG13 ' HD3' ' A' ' 88' ' ' ARG . 72.0 t -61.57 -16.88 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 74.01 111.105 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -43.79 106.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 51.32 111.122 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.557 ' HG2' HG11 ' A' ' 55' ' ' VAL . 2.0 mtp 65.85 82.65 0.2 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.601 0.715 . . . . 73.35 110.856 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -31.65 20.2 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.655 2.237 . . . . 74.43 112.356 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.8 t -168.68 174.58 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 73.11 111.135 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -50.02 143.51 7.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 74.52 110.897 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.508 ' HB3' HG11 ' A' ' 51' ' ' VAL . 40.7 m-85 -122.64 -6.29 8.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 61.24 110.9 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.451 ' HA ' HD11 ' A' ' 41' ' ' LEU . . . -68.24 -5.92 20.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 73.15 111.12 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 t -137.97 10.12 2.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 63.43 111.106 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.91 173.83 6.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 63.33 111.066 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.449 HG22 ' HA ' ' A' ' 39' ' ' ARG . 1.6 p -119.74 168.37 11.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 65.24 111.215 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.937 HG11 HD11 ' A' ' 34' ' ' LEU . 5.5 m -53.14 -36.09 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 74.4 111.136 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -67.16 -39.33 86.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 70.22 110.858 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -64.08 -48.68 75.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 74.53 110.84 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.409 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 25.0 ttm -63.18 -40.63 98.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 73.44 110.914 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.711 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -68.98 -49.58 56.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 63.44 111.065 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -59.37 -36.06 75.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 70.01 110.873 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.64 -40.57 73.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 71.44 111.105 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.5 mt -71.07 -45.02 64.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 64.14 110.893 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -64.13 -33.53 76.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 54.43 110.929 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.76 -47.92 73.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 43.12 111.092 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.604 ' HD3' HG13 ' A' ' 67' ' ' VAL . 2.5 mtp180 -57.44 -62.08 2.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 75.33 110.908 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.507 ' HB3' HD21 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -55.28 -33.1 62.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 75.12 110.865 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -32.27 73.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.859 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -95.39 -19.32 20.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 72.22 110.963 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.615 ' HB1' ' HD2' ' A' ' 93' ' ' PRO . . . -96.26 161.13 28.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.529 0.68 . . . . 72.33 111.073 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.615 ' HD2' ' HB1' ' A' ' 92' ' ' ALA . 54.0 Cg_endo -69.79 97.0 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.643 2.229 . . . . 54.41 112.357 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -61.15 170.41 1.67 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 73.34 110.851 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.57 -173.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 61.22 110.932 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.25 91.66 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 60.32 110.947 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -174.44 164.27 3.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 74.03 110.822 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -145.31 130.67 18.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.819 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -166.54 114.72 0.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 74.25 110.924 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 62.28 171.71 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 62.33 110.922 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -90.43 176.31 6.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 65.35 110.879 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.414 . . . . 71.21 110.855 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.818 0.342 . . . . 74.43 110.848 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.73 103.79 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 63.25 111.09 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -132.22 171.9 13.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 74.51 110.875 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.34 -29.07 63.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 75.21 111.102 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -78.9 144.35 34.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 74.12 110.86 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.509 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 2.4 p30 -97.12 -168.75 1.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 50.55 110.819 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.16 124.2 11.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 64.04 111.188 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 65.62 -84.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 31.13 111.064 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 mp -86.8 160.81 49.18 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.645 0.736 . . . . 72.21 110.874 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 168.93 20.13 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.748 2.299 . . . . 62.21 112.354 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.509 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . . . -118.75 23.57 11.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 73.4 111.078 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.83 -2.31 54.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 72.24 111.114 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.618 HG21 ' CB ' ' A' ' 16' ' ' LEU . 4.2 t -50.84 -44.27 59.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 50.22 111.191 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.408 ' N ' HG23 ' A' ' 13' ' ' THR . . . 105.42 -80.1 0.29 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.795 -0.717 . . . . 63.42 112.512 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.48 -52.63 64.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.756 0.312 . . . . 74.12 111.069 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.618 ' CB ' HG21 ' A' ' 13' ' ' THR . 0.3 OUTLIER -57.36 -40.98 79.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 75.11 110.936 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -34.15 70.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.155 -0.475 . . . . 60.52 110.883 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.69 HD11 ' CB ' ' A' ' 61' ' ' ALA . 1.6 tt -60.69 -53.92 51.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 71.35 110.963 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.74 HG21 ' HA ' ' A' ' 82' ' ' ALA . 5.9 t -65.32 -51.57 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 74.34 111.158 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.809 ' HG2' HD12 ' A' ' 34' ' ' LEU . 20.7 mtp180 -55.49 -38.35 69.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 73.01 110.896 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -65.89 -59.46 3.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.895 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.1 mt -57.04 -36.54 70.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 64.31 110.861 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.677 HG13 HD13 ' A' ' 44' ' ' LEU . 1.5 t -71.46 -48.92 50.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 74.41 111.134 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.524 ' HB1' HD12 ' A' ' 29' ' ' LEU . . . -60.8 -46.67 89.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 54.14 111.132 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.19 -25.62 68.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 71.13 110.876 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -78.47 -28.6 46.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 73.55 110.791 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.435 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -88.33 9.08 24.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 72.41 111.029 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 64.26 44.84 4.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 63.23 110.87 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.524 HD12 ' HB1' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -147.91 159.72 39.69 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.6 0.714 . . . . 74.42 110.901 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.502 ' O ' HG12 ' A' ' 33' ' ' VAL . 54.5 Cg_endo -69.69 143.59 51.66 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.69 2.26 . . . . 75.32 112.381 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 31' ' ' VAL . 11.4 p -68.64 -11.86 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 72.32 111.141 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.5 -21.02 38.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.2 110.91 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.502 HG12 ' O ' ' A' ' 30' ' ' PRO . 2.3 p -101.12 -3.19 9.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 74.14 111.114 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.998 HD11 HG11 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -68.96 118.15 11.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 55.21 110.933 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.6 mtp85 -91.11 157.11 17.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 75.32 110.91 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -75.47 -14.63 60.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 73.41 110.892 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -97.53 -6.81 32.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 64.5 110.819 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.65 ' O ' HG13 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -62.74 107.82 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 64.21 110.841 -179.768 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.451 ' HG2' HG22 ' A' ' 77' ' ' THR . 4.8 mtp180 -73.74 162.05 29.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 61.32 110.856 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.596 ' HE1' HG21 ' A' ' 23' ' ' VAL . 39.8 m-85 -84.54 24.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 71.04 110.875 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' 74' ' ' ALA . 12.6 mt -157.78 -39.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 72.32 110.942 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.408 ' H ' ' HB2' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -62.23 -57.48 11.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.906 179.805 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.99 -56.95 2.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 60.12 110.878 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.677 HD13 HG13 ' A' ' 23' ' ' VAL . 22.1 mt -58.69 -27.31 64.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 74.04 110.895 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 41' ' ' LEU . 5.7 t-160 49.52 74.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.895 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.515 ' HB2' HG22 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -131.46 113.45 13.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 52.13 110.895 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.757 ' O ' HG23 ' A' ' 51' ' ' VAL . 21.1 m -58.74 160.15 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.853 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 p -47.9 -39.45 18.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 73.1 110.834 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 41.7 mm -74.83 -37.83 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 71.42 111.148 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.3 m -64.9 -38.49 91.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 71.11 111.14 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 47' ' ' SER . 6.5 t -63.59 -47.76 89.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 62.14 111.152 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.461 ' O ' HG12 ' A' ' 55' ' ' VAL . . . -59.34 -27.88 63.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 62.51 112.482 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -47.48 81.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 75.34 110.916 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.412 ' C ' HD12 ' A' ' 54' ' ' LEU . 0.8 OUTLIER -81.98 -32.33 30.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 75.11 110.916 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.501 HG11 ' HG2' ' A' ' 69' ' ' MET . 0.3 OUTLIER -58.55 -28.79 37.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 52.14 111.173 179.755 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.8 -40.42 75.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 74.51 110.886 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -61.63 -36.0 79.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 72.34 110.815 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.73 -51.4 62.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 65.15 111.119 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.437 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -54.4 -38.37 66.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 55.5 111.151 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -59.64 -44.19 93.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.87 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.69 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -69.05 -41.56 77.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 71.2 111.063 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.631 ' SD ' HD13 ' A' ' 18' ' ' LEU . 68.8 mmm -72.05 -8.12 52.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 74.31 110.909 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.52 48.32 30.22 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.785 -0.721 . . . . 74.41 112.521 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.608 HD13 HG11 ' A' ' 67' ' ' VAL . 8.4 mt -107.02 -164.29 0.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 70.32 110.927 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.2 t -158.91 -75.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 65.43 110.885 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.97 -13.09 60.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 72.31 111.089 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.608 HG11 HD13 ' A' ' 64' ' ' LEU . 96.7 t -60.69 -17.16 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.416 . . . . 61.24 111.081 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.14 106.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 62.15 111.053 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.501 ' HG2' HG11 ' A' ' 55' ' ' VAL . 1.5 mtp 64.79 81.21 0.22 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.57 0.7 . . . . 64.52 110.845 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 -25.3 29.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.639 2.226 . . . . 71.35 112.39 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.3 t -175.12 173.38 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 73.22 111.237 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -49.42 141.83 8.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 74.54 110.855 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.447 ' CB ' HG11 ' A' ' 51' ' ' VAL . 35.8 m-85 -120.83 -19.85 7.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 71.21 110.845 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.488 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -54.39 -19.56 5.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 70.53 111.099 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 t -122.92 10.63 9.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 74.02 111.161 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -105.24 176.69 5.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 72.21 111.115 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.451 HG22 ' HG2' ' A' ' 39' ' ' ARG . 20.9 p -124.84 169.87 11.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 71.43 111.045 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.998 HG11 HD11 ' A' ' 34' ' ' LEU . 3.5 m -53.57 -36.78 29.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 72.1 111.087 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -67.09 -38.3 85.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 72.15 110.862 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -65.11 -48.73 72.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 52.41 110.885 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 29.0 ttm -65.39 -39.86 92.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 65.34 110.85 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.74 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -69.34 -49.46 55.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 54.32 111.089 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -59.85 -36.63 77.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.294 -0.412 . . . . 75.25 110.864 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.17 -43.99 85.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 60.42 111.14 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.47 HD12 ' CG2' ' A' ' 19' ' ' VAL . 65.4 mt -71.8 -42.16 67.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.901 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.18 -31.1 70.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 54.44 110.847 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.26 -36.54 84.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 64.25 111.14 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -60.45 -59.88 4.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 75.2 110.923 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -63.72 -32.93 74.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 72.12 110.906 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -24.12 66.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 71.44 110.82 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -100.25 -32.63 10.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 74.45 110.864 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.575 ' HB1' ' HD2' ' A' ' 93' ' ' PRO . . . -51.63 160.45 1.04 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.541 0.686 . . . . 31.43 111.122 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' A' ' 92' ' ' ALA . 53.8 Cg_endo -69.78 -8.96 24.92 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.631 2.221 . . . . 62.44 112.317 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 20.2 m80 63.43 105.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 61.54 110.791 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.2 tp -99.99 -178.39 3.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 71.53 110.881 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -70.9 133.72 46.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 51.32 110.893 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 54.0 m170 53.97 85.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 73.41 110.879 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -115.51 -31.16 5.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.417 . . . . 70.21 110.866 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -102.01 151.74 21.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 65.31 110.838 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.09 -63.37 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 62.23 110.826 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -110.73 167.68 10.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 73.53 110.833 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 20.8 p80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 74.55 110.862 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.756 0.313 . . . . 71.35 110.874 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.86 175.88 13.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 63.1 111.192 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -109.13 25.14 12.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 72.23 110.905 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.69 -24.88 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 65.12 111.12 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.2 p30 -88.73 64.0 7.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 72.21 110.854 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -60.71 -169.22 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 51.15 110.867 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -69.92 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 73.21 111.104 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.34 164.98 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 42.35 111.09 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.793 HD13 HG22 ' A' ' 31' ' ' VAL . 10.7 tp -66.36 123.53 85.71 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.625 0.726 . . . . 63.41 110.882 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -8.51 23.78 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 72.22 112.338 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.529 ' HB1' HG22 ' A' ' 13' ' ' THR . . . -71.03 121.25 17.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 62.2 111.124 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.89 -1.02 50.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 35.44 111.117 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.529 HG22 ' HB1' ' A' ' 11' ' ' ALA . 1.8 t -47.62 -40.41 19.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 73.24 111.153 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.17 -71.82 2.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.822 -0.704 . . . . 64.3 112.46 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.51 -55.16 38.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 72.21 111.132 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.518 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -59.35 -38.86 81.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 73.4 110.955 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.607 ' HB2' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -70.21 -32.9 71.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 72.45 110.918 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.719 HD11 ' CB ' ' A' ' 61' ' ' ALA . 3.4 tt -61.54 -53.41 56.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 70.11 110.963 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.734 ' CG2' HD12 ' A' ' 85' ' ' LEU . 2.8 t -62.52 -53.59 45.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 74.12 111.119 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -55.46 -39.36 70.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 73.52 110.88 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -64.52 -50.6 66.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.133 -0.485 . . . . 72.45 110.842 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.666 HD12 ' HB2' ' A' ' 58' ' ' ALA . 35.5 mt -57.16 -41.48 79.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 62.4 110.898 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.573 ' CG1' HD13 ' A' ' 44' ' ' LEU . 76.4 t -67.0 -49.18 76.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 75.11 111.069 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.79 -48.91 76.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 64.32 111.113 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -64.73 -28.23 69.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 75.53 110.857 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -78.95 -16.12 57.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 73.43 110.808 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.25 9.82 42.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 73.43 111.153 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 65.49 37.16 6.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 64.1 110.821 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.608 HD22 HG21 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -147.74 159.86 39.79 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.579 0.704 . . . . 72.12 110.925 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.573 ' HG2' HG13 ' A' ' 33' ' ' VAL . 53.6 Cg_endo -69.8 157.12 61.39 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.659 2.239 . . . . 73.12 112.345 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.793 HG22 HD13 ' A' ' 9' ' ' LEU . 14.6 p -74.99 -5.63 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 72.35 111.175 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.8 -25.55 32.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 72.11 110.951 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.608 HG21 HD22 ' A' ' 29' ' ' LEU . 21.3 m -92.54 -8.31 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 62.31 111.074 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.849 HD11 HG11 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -69.78 127.19 32.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 73.45 110.949 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.6 155.2 18.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 71.42 110.884 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -73.18 -14.62 61.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 73.42 110.839 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -100.19 -6.59 25.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 73.4 110.816 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.46 ' O ' HG13 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -65.49 112.47 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 51.14 110.943 -179.837 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.487 ' HB2' ' H ' ' A' ' 42' ' ' ASP . 5.0 mtp180 -77.6 157.44 30.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 72.03 110.919 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.463 ' HA ' HD12 ' A' ' 44' ' ' LEU . 45.4 m-85 -78.85 22.29 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 74.11 110.922 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.534 HD12 ' O ' ' A' ' 74' ' ' ALA . 13.6 mt -158.84 -40.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 65.52 110.972 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.487 ' H ' ' HB2' ' A' ' 39' ' ' ARG . 23.1 t70 -57.47 -53.7 55.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 73.2 110.831 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.62 -51.47 2.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 62.31 110.82 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.573 HD13 ' CG1' ' A' ' 23' ' ' VAL . 13.8 mt -60.06 -25.06 65.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 73.21 110.98 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 41' ' ' LEU . 23.7 t-160 47.37 82.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 73.12 110.902 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.7 mtp -138.12 116.94 12.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 73.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.756 ' O ' HG23 ' A' ' 51' ' ' VAL . 6.6 m -61.38 155.57 21.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 53.22 110.841 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.74 -37.58 19.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 74.11 110.877 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.1 mm -73.88 -41.2 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 63.22 111.188 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.7 m -61.83 -35.05 77.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 71.04 111.173 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 47' ' ' SER . 4.6 t -65.97 -50.86 66.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 73.2 111.099 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.45 -28.03 58.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.795 -0.717 . . . . 53.04 112.445 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -62.72 -46.97 85.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 72.43 110.947 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.519 HD13 ' HB3' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -82.34 -31.91 29.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 71.33 110.916 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 51' ' ' VAL . 11.9 t -56.44 -33.94 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 65.2 111.123 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -67.44 -34.42 77.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 75.34 110.859 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -71.32 -34.06 70.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 74.33 110.899 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.666 ' HB2' HD12 ' A' ' 22' ' ' LEU . . . -64.39 -51.18 64.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 61.14 111.084 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.802 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -61.72 -36.15 80.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.282 -0.417 . . . . 50.35 111.169 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -43.54 94.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 65.04 110.829 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.719 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -68.99 -38.99 79.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 43.43 111.089 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.433 ' HB2' ' HG ' ' A' ' 64' ' ' LEU . 93.6 mmm -71.51 -22.74 61.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 72.53 110.931 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.29 14.41 41.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.747 . . . . 73.34 112.472 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.802 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 6.1 mt -75.15 -165.61 0.41 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.762 0.315 . . . . 50.13 110.958 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.3 p -158.32 -77.4 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 64.4 110.79 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.92 -12.66 60.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 62.23 111.056 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.573 HG21 HD13 ' A' ' 64' ' ' LEU . 97.8 t -60.49 -17.11 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.28 -0.418 . . . . 75.13 111.123 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.64 107.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.35 111.115 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.3 mtp 64.7 82.93 0.2 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.603 0.716 . . . . 65.11 110.899 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -24.54 29.83 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.734 2.289 . . . . 74.33 112.322 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.3 t -175.97 173.04 2.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 73.23 111.145 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -49.66 140.15 11.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 41.33 110.881 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.478 ' CB ' HG11 ' A' ' 51' ' ' VAL . 36.2 m-85 -118.58 -17.73 9.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.895 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.534 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -55.05 -18.65 5.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 74.3 111.092 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 t -124.88 11.19 8.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 72.22 111.135 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -106.7 171.98 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.305 -0.407 . . . . 32.32 111.037 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 61.5 p -118.43 168.25 10.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 71.4 111.156 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.849 HG11 HD11 ' A' ' 34' ' ' LEU . 7.6 m -53.84 -35.53 27.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 73.01 111.145 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -65.85 -39.61 90.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 64.51 110.874 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -65.15 -47.99 75.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.916 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.42 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 36.0 ttm -64.75 -41.97 95.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 42.41 110.927 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.623 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -68.33 -50.67 51.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 51.11 111.087 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.2 -35.79 78.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 65.21 110.883 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.54 -46.76 86.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 73.04 111.082 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.734 HD12 ' CG2' ' A' ' 19' ' ' VAL . 87.4 mt -70.86 -45.4 64.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 63.31 110.933 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -61.31 -33.92 74.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 73.53 110.839 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.88 -37.76 86.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 74.45 111.027 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.9 mtp85 -64.39 -54.54 31.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 74.24 110.892 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -66.51 -32.62 74.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 73.1 110.841 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -61.29 -23.15 65.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 65.23 110.83 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -102.85 -27.8 12.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 71.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.593 ' HB1' ' HD2' ' A' ' 93' ' ' PRO . . . -51.89 160.43 1.14 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.619 0.724 . . . . 64.04 111.081 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.593 ' HD2' ' HB1' ' A' ' 92' ' ' ALA . 53.8 Cg_endo -69.79 97.92 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.704 2.269 . . . . 71.11 112.343 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -161.79 168.58 22.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 72.02 110.853 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.05 111.28 0.81 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 74.22 110.865 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -141.29 -179.13 5.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 63.24 110.875 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -86.3 177.69 7.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 52.35 110.904 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.53 -179.26 4.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 73.23 110.866 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -111.04 131.52 54.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 72.41 110.911 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -132.17 144.27 50.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.859 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 5.5 t60 62.53 101.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 72.35 110.839 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 15.7 t-160 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 75.32 110.86 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mtt . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.826 0.346 . . . . 71.14 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.26 87.47 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 71.13 111.065 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -87.32 56.27 3.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 74.5 110.884 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.12 -26.4 26.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 72.41 111.014 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.68 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 61.32 110.909 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.6 t0 51.59 67.01 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 73.0 110.813 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 55.52 -179.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 55.5 111.085 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 50.34 -168.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.166 -0.47 . . . . 60.05 111.075 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.7 mp -65.99 123.67 85.66 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.654 0.74 . . . . 72.03 110.864 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -33.94 15.47 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.699 2.266 . . . . 72.23 112.34 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -148.28 135.54 20.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 61.23 111.16 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.03 0.34 45.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 73.14 111.067 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.583 HG21 ' HB2' ' A' ' 16' ' ' LEU . 89.6 m -43.58 -38.5 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.301 -0.409 . . . . 71.45 111.15 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.38 -78.51 0.84 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.682 -0.771 . . . . 32.03 112.568 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.05 -39.5 93.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.839 0.352 . . . . 63.11 111.176 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.583 ' HB2' HG21 ' A' ' 13' ' ' THR . 0.3 OUTLIER -70.11 -44.2 69.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.923 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 21' ' ' HIS . 8.2 pt-20 -70.8 -33.67 70.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 70.3 110.854 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.774 HD11 ' CB ' ' A' ' 61' ' ' ALA . 9.9 tt -57.08 -51.75 68.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 74.53 110.976 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.693 HG21 ' HA ' ' A' ' 82' ' ' ALA . 2.4 t -63.1 -55.33 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 44.22 111.114 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.487 ' HG2' HD12 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -55.44 -39.02 69.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 75.15 110.88 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.567 ' CE1' HG21 ' A' ' 31' ' ' VAL . 19.0 t60 -61.91 -58.8 6.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 71.31 110.84 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.7 mt -55.71 -42.51 75.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 63.32 110.899 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.642 ' CG1' HD13 ' A' ' 44' ' ' LEU . 94.5 t -61.62 -45.0 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 60.23 111.075 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.418 ' HB1' ' HA ' ' A' ' 31' ' ' VAL . . . -62.9 -48.92 76.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 74.05 111.108 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -58.59 -26.58 63.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.14 110.821 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.458 ' HB2' ' HE1' ' A' ' 46' ' ' MET . 1.8 mmp_? -78.63 -18.36 54.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 63.22 110.946 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.76 5.59 43.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 64.23 111.158 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 63.56 64.75 0.78 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 74.31 110.929 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.837 HD22 HG21 ' A' ' 33' ' ' VAL . 34.4 mt -144.54 159.85 49.92 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.543 0.687 . . . . 74.2 110.924 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.739 ' HG2' HG13 ' A' ' 33' ' ' VAL . 54.1 Cg_endo -69.74 3.25 2.87 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.699 2.266 . . . . 73.14 112.331 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.567 HG21 ' CE1' ' A' ' 21' ' ' HIS . 58.5 t 76.44 -43.25 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 74.44 111.091 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -18.8 27.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 71.02 110.865 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.837 HG21 HD22 ' A' ' 29' ' ' LEU . 5.2 m -91.84 -10.47 9.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 52.43 111.198 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.844 HD11 HG11 ' A' ' 78' ' ' VAL . 0.5 OUTLIER -67.85 121.21 15.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 42.45 110.913 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.7 156.3 17.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 73.45 110.864 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -74.88 -15.17 60.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 65.14 110.893 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -110.54 18.86 19.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 70.22 110.836 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.506 ' O ' HG13 ' A' ' 78' ' ' VAL . 1.2 m -78.94 109.01 12.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 73.1 110.852 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.437 ' HE ' HG23 ' A' ' 77' ' ' THR . 3.0 mtp180 -65.77 156.51 32.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 73.53 110.905 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.66 ' HA ' HD12 ' A' ' 44' ' ' LEU . 55.4 m-85 -82.78 23.7 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.892 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.465 HD21 ' HA ' ' A' ' 47' ' ' SER . 13.4 mt -156.57 -39.66 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 75.33 110.858 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -65.89 -57.34 8.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 72.21 110.834 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.29 -55.69 2.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 51.51 110.932 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 40' ' ' PHE . 15.2 mt -62.36 -26.63 68.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 71.12 110.862 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 41' ' ' LEU . 4.1 t60 48.79 67.44 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 71.25 110.876 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.458 ' HE1' ' HB2' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -127.8 106.45 9.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 63.11 110.935 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.79 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -55.75 162.35 1.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 65.23 110.85 -179.821 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.3 p -47.68 -32.63 5.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 72.04 110.879 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 16.3 mm -75.88 -46.17 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.069 -0.514 . . . . 55.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.2 m -60.86 -37.18 81.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 64.42 111.105 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 47' ' ' SER . 4.8 t -63.86 -50.16 78.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 64.2 111.073 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.29 -27.72 58.18 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.685 -0.769 . . . . 74.22 112.495 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -67.25 -45.27 77.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.782 0.325 . . . . 74.34 110.885 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.412 ' HB2' ' HG3' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -80.98 -32.39 34.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.443 . . . . 73.2 110.876 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.9 t -58.31 -32.51 45.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 72.05 111.147 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.56 -33.57 75.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 75.14 110.871 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -71.18 -35.26 71.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 72.2 110.86 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.43 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -68.84 -52.56 28.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 50.11 111.074 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.702 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -54.82 -46.49 74.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 74.21 111.116 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -36.85 73.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 72.35 110.872 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.774 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -69.18 -42.89 75.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 51.13 111.129 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.652 ' HG3' HD22 ' A' ' 85' ' ' LEU . 85.8 mmm -71.26 -12.11 61.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 71.22 110.846 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.38 12.87 50.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.754 -0.736 . . . . 71.4 112.577 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.702 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 9.6 mt -78.26 -168.14 1.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 71.23 110.908 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.4 p -161.69 -74.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 72.33 110.913 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.85 -11.63 58.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 73.31 111.168 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.565 HG11 HD13 ' A' ' 64' ' ' LEU . 48.1 t -62.5 -13.62 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 75.34 111.051 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 67' ' ' VAL . . . -33.47 108.46 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 21.2 111.097 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.5 mtp 66.85 84.48 0.17 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.48 0.657 . . . . 72.23 110.851 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -23.58 30.55 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.685 2.257 . . . . 74.23 112.316 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.2 t -175.8 172.8 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 75.52 111.162 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -49.62 141.0 10.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.428 . . . . 53.04 110.903 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.552 ' CB ' HG11 ' A' ' 51' ' ' VAL . 32.5 m-85 -120.89 -18.41 7.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 60.14 110.89 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.455 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -54.45 -20.27 7.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 72.11 111.105 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 t -122.27 10.67 9.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 73.14 111.148 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -107.24 170.68 7.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 73.42 111.148 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.437 HG23 ' HE ' ' A' ' 39' ' ' ARG . 13.3 p -120.63 171.65 8.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 71.34 111.186 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.844 HG11 HD11 ' A' ' 34' ' ' LEU . 16.3 m -53.04 -36.01 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 65.14 111.137 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 -66.47 -38.73 87.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 72.54 110.87 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -66.25 -49.02 68.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 70.15 110.893 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.429 ' HE3' ' CE1' ' A' ' 40' ' ' PHE . 39.5 ttm -64.82 -42.26 95.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.874 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.693 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -68.64 -45.2 72.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 75.44 111.099 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.53 -42.14 95.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 75.54 110.863 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.98 99.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 40.12 111.097 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.652 HD22 ' HG3' ' A' ' 62' ' ' MET . 1.9 mt -71.33 -44.38 65.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 65.32 110.932 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -61.91 -32.94 73.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 70.13 110.91 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.4 ' N ' ' HG3' ' A' ' 86' ' ' GLU . . . -66.64 -37.6 85.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 60.13 111.078 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.419 ' HG3' ' HA ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -60.41 -56.13 25.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 63.54 110.892 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.492 ' HG3' ' HE3' ' A' ' 62' ' ' MET . 1.2 mt-10 -67.75 -32.82 73.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 72.11 110.905 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.1 ttt85 -61.32 -31.72 71.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 74.15 110.874 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -119.69 29.44 7.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 74.12 110.877 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 93' ' ' PRO . . . -73.02 160.55 82.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.731 . . . . 40.42 111.121 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 92' ' ' ALA . 53.6 Cg_endo -69.85 160.8 48.36 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.679 2.253 . . . . 74.43 112.312 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.2 m80 59.04 72.75 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 62.34 110.884 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.42 179.58 4.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 64.14 110.939 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.1 96.98 6.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 63.14 110.937 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -134.7 -175.68 3.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 75.14 110.922 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -134.93 89.17 2.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 63.44 110.856 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -155.34 158.25 38.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.285 -0.416 . . . . 74.11 110.93 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -99.64 28.17 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 75.22 110.93 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -120.63 174.09 6.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 73.31 110.874 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 74.54 110.878 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 mtt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.806 0.336 . . . . 74.51 110.849 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -169.06 -169.87 1.04 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 75.33 111.079 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.07 24.84 1.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 70.25 110.889 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.39 -26.64 22.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 62.11 111.114 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -103.38 15.01 30.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 70.41 110.843 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -64.99 91.9 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 71.23 110.819 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 55.77 178.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 62.0 111.134 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 49.72 -166.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 72.01 111.123 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 pp -65.5 122.78 82.12 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.641 0.734 . . . . 73.32 110.885 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -49.05 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.241 . . . . 72.42 112.348 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 179.93 -162.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 62.24 111.112 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.54 ' O ' ' C ' ' A' ' 13' ' ' THR . . . -75.48 -0.69 21.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 73.01 111.13 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.54 ' C ' ' O ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -25.66 -69.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 75.25 111.132 -179.846 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.64 -100.47 2.6 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.709 -0.758 . . . . 75.3 112.451 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.43 99.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 62.2 111.106 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -61.27 -46.76 89.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 72.05 110.944 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -71.16 -32.93 69.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 63.12 110.895 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.753 HD11 ' CB ' ' A' ' 61' ' ' ALA . 5.8 tt -58.24 -52.6 64.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 73.23 110.923 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.641 HG21 ' HA ' ' A' ' 82' ' ' ALA . 2.3 t -65.76 -53.0 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 62.31 111.115 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.728 ' HG2' HD12 ' A' ' 34' ' ' LEU . 52.6 mtp180 -54.6 -38.93 67.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 73.53 110.852 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -66.2 -51.85 53.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 73.02 110.853 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.637 HD12 ' HB2' ' A' ' 58' ' ' ALA . 59.8 mt -61.05 -39.84 91.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 62.25 110.952 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 19' ' ' VAL . 85.3 t -70.63 -48.74 56.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 73.34 111.153 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.488 ' HB1' HD12 ' A' ' 29' ' ' LEU . . . -59.21 -47.39 85.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 62.33 111.131 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -64.98 -28.14 69.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 75.41 110.896 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.47 ' HB2' ' HE1' ' A' ' 46' ' ' MET . 0.4 OUTLIER -78.74 -25.42 44.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 74.14 110.825 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.37 9.93 24.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 74.53 111.099 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 63.81 42.2 6.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.84 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.525 HD11 HD23 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -147.6 158.31 43.35 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.572 0.701 . . . . 63.42 110.942 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.471 ' O ' HG12 ' A' ' 33' ' ' VAL . 53.4 Cg_endo -69.66 146.04 59.55 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.7 2.266 . . . . 64.31 112.349 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 31' ' ' VAL . 11.1 p -69.83 -11.99 15.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 64.25 111.136 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.89 -21.24 40.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 72.31 110.918 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.471 HG12 ' O ' ' A' ' 30' ' ' PRO . 2.5 p -102.58 -1.41 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 74.04 111.169 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.048 HD11 HG11 ' A' ' 78' ' ' VAL . 1.3 tm? -68.9 117.56 10.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 63.24 110.866 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.416 ' O ' HD13 ' A' ' 34' ' ' LEU . 4.3 mtt180 -87.71 154.15 20.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.849 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.424 ' HA ' ' CG2' ' A' ' 78' ' ' VAL . 55.6 m-20 -75.35 -15.07 60.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 62.24 110.87 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -98.82 17.83 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 60.41 110.864 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.415 ' OG ' HG13 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -84.93 118.48 24.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 71.35 110.876 -179.741 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.808 ' HG2' HG22 ' A' ' 77' ' ' THR . 0.7 OUTLIER -94.93 143.94 26.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 63.34 110.854 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.666 ' HA ' HD12 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -83.28 55.7 3.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 75.12 110.895 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.641 HD22 ' O ' ' A' ' 46' ' ' MET . 0.0 OUTLIER 179.74 -41.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 74.43 110.889 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -78.14 -63.53 1.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 53.5 110.914 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.69 -63.21 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 73.22 110.815 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 40' ' ' PHE . 19.4 mt -52.66 -24.63 8.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 74.12 110.869 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 61.63 18.07 9.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 71.31 110.871 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.641 ' O ' HD22 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -73.92 100.4 3.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.05 110.837 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.806 ' O ' HG23 ' A' ' 51' ' ' VAL . 15.9 m -53.46 159.66 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 62.34 110.852 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 p -46.85 -37.13 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 61.13 110.842 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.506 ' H ' HD12 ' A' ' 49' ' ' ILE . 5.3 mp -74.31 -40.95 50.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.166 -0.47 . . . . 64.53 111.084 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 100.0 m -64.61 -41.27 96.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 74.33 111.121 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 47' ' ' SER . 3.8 t -58.3 -49.7 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 73.34 111.145 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.46 -33.48 71.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 52.13 112.497 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -58.87 -46.05 88.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 64.32 110.888 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.92 -33.11 34.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.924 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 51' ' ' VAL . 17.2 t -59.87 -35.63 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 71.35 111.101 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -66.64 -33.62 76.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 64.13 110.907 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.415 ' HB3' HD13 ' A' ' 22' ' ' LEU . 7.5 tp10 -69.67 -36.14 75.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 63.13 110.828 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.637 ' HB2' HD12 ' A' ' 22' ' ' LEU . . . -69.83 -53.73 16.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 54.51 111.173 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.756 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -48.87 -44.53 39.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 61.2 111.141 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -59.39 -41.01 88.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 74.34 110.895 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.753 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -69.56 -38.64 77.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 74.11 111.136 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.686 ' HG3' HD22 ' A' ' 85' ' ' LEU . 46.9 mmm -71.47 -22.07 61.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 60.3 110.83 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.5 -11.77 21.37 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.774 -0.727 . . . . 70.14 112.515 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.756 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 10.5 mt -61.74 -164.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 75.1 110.926 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.6 t -168.8 -65.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 73.23 110.847 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.68 -10.42 40.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 61.44 111.103 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.836 HG11 ' HD3' ' A' ' 88' ' ' ARG . 19.1 t -64.88 -9.47 7.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 71.43 111.163 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 67' ' ' VAL . . . -32.14 108.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 53.2 111.1 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 6.8 mtp 68.13 85.36 0.14 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.562 0.696 . . . . 65.24 110.852 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 -45.96 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.633 2.222 . . . . 74.12 112.286 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.2 t -149.38 178.13 9.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.325 -0.398 . . . . 62.5 111.187 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -50.55 141.63 12.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 71.21 110.903 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.448 ' HA ' ' HB3' ' A' ' 76' ' ' ALA . 19.4 m-85 -120.94 -18.51 7.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 75.41 110.884 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.569 ' HA ' HD23 ' A' ' 41' ' ' LEU . . . -56.57 -19.57 16.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 62.11 111.142 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.9 t -123.79 9.36 8.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 73.41 111.178 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.448 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -106.73 153.51 22.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 74.24 111.145 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.808 HG22 ' HG2' ' A' ' 39' ' ' ARG . 20.7 p -104.31 170.93 7.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 24.03 111.104 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.048 HG11 HD11 ' A' ' 34' ' ' LEU . 32.8 m -51.84 -36.87 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 74.24 111.135 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -65.56 -39.87 92.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 64.44 110.892 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -64.63 -49.44 71.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 71.05 110.888 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 73' ' ' PHE . 36.1 ttm -62.66 -38.18 89.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 62.01 110.899 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.641 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -71.03 -50.14 37.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 74.05 111.098 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.32 -36.22 73.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 74.15 110.934 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.2 -37.9 78.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 72.12 111.093 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.686 HD22 ' HG3' ' A' ' 62' ' ' MET . 2.1 mt -72.9 -46.22 53.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 72.4 110.914 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -62.36 -33.58 75.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 71.03 110.86 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.82 -34.63 78.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 73.41 111.09 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.836 ' HD3' HG11 ' A' ' 67' ' ' VAL . 1.0 OUTLIER -64.16 -57.72 8.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 63.1 110.904 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -61.5 -31.98 71.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 75.42 110.88 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -62.76 -24.99 67.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 74.21 110.848 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -102.17 -22.94 14.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 65.5 110.925 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 93' ' ' PRO . . . -51.57 160.45 1.02 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.599 0.714 . . . . 41.41 111.059 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 92' ' ' ALA . 53.6 Cg_endo -69.68 122.05 8.75 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.727 2.285 . . . . 64.45 112.36 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 25.5 p-80 -147.63 -170.38 3.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.867 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.9 mt -54.47 165.48 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 72.23 110.868 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.01 125.83 16.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 44.43 110.928 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -173.35 -58.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 71.21 110.9 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -145.9 -176.91 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 71.22 110.871 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 43.0 p-80 -158.55 140.38 13.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 71.03 110.827 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.22 130.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 64.34 110.892 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -88.38 -63.76 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 75.44 110.954 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 2.9 t60 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 63.4 110.81 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 mmt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.75 0.31 . . . . 71.15 110.944 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -174.86 -169.18 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 42.4 111.142 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 62.55 82.16 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 70.01 110.858 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.93 -20.44 56.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 62.01 111.099 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -63.79 -16.25 60.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 71.3 110.894 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -51.76 169.96 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 64.42 110.89 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 50.7 89.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.415 . . . . 71.21 111.077 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 65.24 -168.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 61.45 111.073 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.5 mp -66.13 152.48 93.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 71.53 110.927 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 142.8 48.79 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.708 2.272 . . . . 72.11 112.344 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 51.21 72.05 0.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 51.42 111.084 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.91 -27.11 49.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 75.01 111.139 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.567 HG21 ' HB2' ' A' ' 16' ' ' LEU . 94.9 m -129.48 -50.21 1.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 70.21 111.154 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.02 -94.67 0.59 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.724 . . . . 61.21 112.502 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.575 ' HB3' ' HG2' ' A' ' 86' ' ' GLU . . . -64.94 -32.91 74.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 73.04 111.132 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.567 ' HB2' HG21 ' A' ' 13' ' ' THR . 0.3 OUTLIER -66.0 -48.14 72.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 73.11 110.948 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.53 -33.09 66.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 75.22 110.945 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.763 HD11 ' HB3' ' A' ' 61' ' ' ALA . 5.1 tt -58.13 -52.36 65.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 70.23 110.93 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.674 HG21 ' HA ' ' A' ' 82' ' ' ALA . 2.1 t -60.53 -55.08 26.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 71.34 111.132 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.7 mtp-105 -57.62 -38.65 75.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 72.51 110.878 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.465 ' CE1' HG21 ' A' ' 31' ' ' VAL . 31.9 t60 -62.5 -58.86 6.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 71.52 110.842 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mt -56.21 -45.57 79.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 62.15 110.85 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 19' ' ' VAL . 86.9 t -61.72 -43.55 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 73.55 111.136 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.407 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -60.94 -47.84 84.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 74.04 111.044 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -60.46 -25.97 66.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 73.2 110.915 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -76.0 -22.07 56.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 73.23 110.92 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.18 7.91 45.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 71.11 111.113 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 61.84 65.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 75.3 110.839 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.838 HD22 HG21 ' A' ' 33' ' ' VAL . 33.6 mt -143.62 159.62 53.69 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.629 0.728 . . . . 71.31 110.92 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.741 ' HG2' HG13 ' A' ' 33' ' ' VAL . 53.5 Cg_endo -69.76 2.74 3.26 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.621 2.214 . . . . 74.51 112.3 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.547 ' HB ' ' O ' ' A' ' 30' ' ' PRO . 58.5 t 76.53 -42.31 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 75.23 111.133 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -18.13 30.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 53.12 110.922 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.838 HG21 HD22 ' A' ' 29' ' ' LEU . 6.4 m -91.35 -5.78 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 71.34 111.114 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.558 HD11 HG11 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -68.33 120.33 14.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 71.44 110.943 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -91.95 158.09 16.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 75.41 110.927 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.81 -24.88 59.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 64.32 110.897 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -104.61 18.53 22.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 75.3 110.897 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.751 ' O ' HG13 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -73.95 110.43 8.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 73.34 110.929 -179.811 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.18 159.68 30.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 74.02 110.904 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.69 ' HA ' HD12 ' A' ' 44' ' ' LEU . 54.4 m-85 -83.75 13.5 4.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 54.14 110.87 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 40' ' ' PHE . 1.2 mp -150.52 -42.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 54.33 110.929 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -56.93 -50.79 71.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 64.42 110.9 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.4 -52.14 2.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 75.44 110.86 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.69 HD12 ' HA ' ' A' ' 40' ' ' PHE . 55.5 mt -63.51 -24.0 67.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.986 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 48.88 56.27 7.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 54.21 110.884 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.3 mmm -114.35 126.6 55.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 74.52 110.816 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.783 ' O ' HG23 ' A' ' 51' ' ' VAL . 13.3 m -72.67 157.97 36.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 73.14 110.85 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 p -47.46 -38.12 13.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 74.12 110.867 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.51 ' H ' HD12 ' A' ' 49' ' ' ILE . 5.3 mp -74.72 -40.35 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 74.14 111.078 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.4 m -63.05 -38.6 91.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 64.15 111.077 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 47' ' ' SER . 3.6 t -61.9 -50.15 81.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 71.34 111.144 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.445 ' O ' HG12 ' A' ' 55' ' ' VAL . . . -58.07 -26.55 58.59 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.811 -0.709 . . . . 74.52 112.475 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -66.09 -47.26 74.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 64.51 110.947 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.625 HD11 HG22 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -82.33 -32.02 29.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 53.21 110.947 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.491 HG11 ' HG2' ' A' ' 69' ' ' MET . 0.3 OUTLIER -58.12 -29.1 36.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 65.25 111.149 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -69.66 -33.98 73.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 73.04 110.901 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -69.58 -36.56 76.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 72.01 110.852 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.95 -52.98 57.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 44.14 111.102 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.762 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -55.38 -41.81 73.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 63.31 111.035 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -42.48 84.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 61.22 110.825 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.763 ' HB3' HD11 ' A' ' 18' ' ' LEU . . . -69.1 -40.32 78.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 62.22 111.107 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.655 ' HG3' HD22 ' A' ' 85' ' ' LEU . 78.6 mmm -71.6 -11.59 60.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 71.22 110.843 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.78 39.51 7.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 71.31 112.451 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.762 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 10.3 mt -103.44 -166.95 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 74.44 110.92 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.0 t -161.96 -76.47 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 75.32 110.928 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.28 -12.75 59.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 73.34 111.067 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.555 HG11 HD13 ' A' ' 64' ' ' LEU . 84.1 t -63.3 -14.35 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 71.11 111.118 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -38.19 110.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 32.41 111.066 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.491 ' HG2' HG11 ' A' ' 55' ' ' VAL . 0.8 OUTLIER 66.4 80.67 0.22 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.603 0.716 . . . . 73.02 110.858 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -20.27 34.79 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.657 2.238 . . . . 71.23 112.381 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.0 t -178.15 167.33 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 74.22 111.197 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -48.41 143.36 4.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 74.25 110.892 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.5 ' CB ' HG11 ' A' ' 51' ' ' VAL . 51.1 m-85 -123.37 -8.51 8.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 74.3 110.897 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.416 ' HA ' HD11 ' A' ' 41' ' ' LEU . . . -65.2 -8.15 16.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 74.2 111.086 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -136.97 9.9 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 64.33 111.127 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -102.34 -179.31 3.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 70.22 111.099 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.95 169.3 14.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 63.12 111.129 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.751 HG13 ' O ' ' A' ' 38' ' ' SER . 22.1 m -52.75 -37.59 25.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 54.45 111.1 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -66.28 -37.51 85.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 74.53 110.86 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -65.72 -48.54 71.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 74.54 110.877 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 23.3 ttm -65.97 -43.39 88.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 74.22 110.897 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.674 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -67.06 -43.26 83.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 65.04 111.061 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.87 -40.96 85.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 73.51 110.83 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.06 -47.16 87.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 72.44 111.099 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.655 HD22 ' HG3' ' A' ' 62' ' ' MET . 3.6 mt -71.37 -36.46 71.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 74.33 110.976 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.575 ' HG2' ' HB3' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -64.73 -38.12 89.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 65.03 110.918 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.55 -39.76 92.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 60.32 111.123 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.596 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -54.78 -55.7 27.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 74.33 110.919 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HG3' ' HE3' ' A' ' 62' ' ' MET . 3.5 mt-10 -71.48 -33.04 68.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 55.31 110.864 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -60.99 -31.21 70.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 64.41 110.851 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -134.57 51.04 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 65.35 110.887 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 88' ' ' ARG . . . -101.74 160.27 26.98 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.569 0.7 . . . . 65.41 111.078 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.591 ' HD2' ' HB1' ' A' ' 92' ' ' ALA . 53.5 Cg_endo -69.78 -29.7 23.38 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.687 2.258 . . . . 75.21 112.349 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 25.7 p80 -117.2 149.03 41.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 64.22 110.903 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.96 128.57 53.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 51.0 110.921 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -162.69 128.15 3.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 70.24 110.841 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -170.53 105.65 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 64.52 110.884 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -131.03 41.41 3.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 71.4 110.901 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -82.12 56.56 3.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 72.15 110.837 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -91.55 120.66 32.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 71.44 110.815 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 63.6 159.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 63.52 110.898 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 43.23 110.834 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.899 0.38 . . . . 22.399999999999999 111.156 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.52 HD22 ' HB1' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -58.54 -42.46 87.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 73.430000000000007 110.895 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -33.27 71.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 64.200000000000003 110.892 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.664 HD11 ' CB ' ' A' ' 61' ' ' ALA . 1.8 tt -60.28 -52.6 64.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 64.519999999999996 110.941 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.708 HG21 ' HA ' ' A' ' 82' ' ' ALA . 2.2 t -63.34 -53.21 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 71.439999999999998 111.099 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -56.24 -39.85 73.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 65.340000000000003 110.895 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -63.54 -55.19 25.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 64.109999999999999 110.805 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.594 HD12 ' HB2' ' A' ' 58' ' ' ALA . 64.0 mt -57.08 -36.74 70.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.302 -0.408 . . . . 75.209999999999994 110.967 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.711 ' CG1' HD13 ' A' ' 44' ' ' LEU . 93.7 t -71.78 -48.07 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 71.549999999999997 111.109 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.411 ' HA ' HD23 ' A' ' 34' ' ' LEU . . . -57.79 -49.68 75.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 74.329999999999998 111.055 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.86 -31.22 72.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 72.430000000000007 110.885 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.515 ' HB2' ' HE1' ' A' ' 46' ' ' MET . 1.3 mmp_? -78.77 -16.59 57.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 73.510000000000005 110.96 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.19 6.13 49.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 73.439999999999998 111.078 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 70.17 35.66 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 74.019999999999996 110.827 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.5 161.7 32.64 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.646 0.736 . . . . 71.439999999999998 110.878 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 162.37 42.3 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.687 2.258 . . . . 63.299999999999997 112.342 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 31' ' ' VAL . 10.0 p -82.11 -14.08 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 70.219999999999999 111.108 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.15 -19.51 43.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 65.409999999999997 110.859 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 p -102.34 -5.08 9.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 72.209999999999994 111.146 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.849 HD11 HG11 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -68.96 118.91 12.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 71.450000000000003 110.866 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -81.02 148.15 29.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 61.240000000000002 110.82 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.52 -22.73 60.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 73.209999999999994 110.843 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -103.18 17.65 23.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 71.239999999999995 110.841 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.5 p -80.3 111.2 16.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 74.329999999999998 110.914 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -68.62 156.83 37.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 71.120000000000005 110.905 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.519 ' HA ' HD12 ' A' ' 44' ' ' LEU . 54.2 m-85 -81.7 24.9 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 71.129999999999995 110.869 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.3 mt -160.05 -42.72 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 73.239999999999995 110.892 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -61.5 -44.07 97.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 71.030000000000001 110.831 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.59 -60.23 1.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 72.420000000000002 110.853 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.711 HD13 ' CG1' ' A' ' 23' ' ' VAL . 16.7 mt -55.21 -25.21 31.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 74.310000000000002 110.931 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.0 m80 50.23 68.22 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 75.310000000000002 110.848 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.601 ' CE ' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -124.1 105.16 9.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 54.439999999999998 110.879 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.807 ' O ' HG23 ' A' ' 51' ' ' VAL . 21.8 m -56.14 158.23 4.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 72.450000000000003 110.878 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.6 p -47.72 -39.43 17.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 62.229999999999997 110.868 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 41.6 mm -73.8 -38.48 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 75.209999999999994 111.162 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.1 m -65.58 -42.2 92.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 75.329999999999998 111.151 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 47' ' ' SER . 3.8 t -58.41 -49.75 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 74.099999999999994 111.13 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.39 -28.29 59.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 53.399999999999999 112.488 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -65.82 -44.99 83.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.813 0.339 . . . . 63.350000000000001 110.897 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.21 -32.76 33.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 71.310000000000002 110.933 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.3 t -59.65 -36.1 63.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 53.130000000000003 111.165 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -67.18 -32.25 73.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 64.400000000000006 110.879 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -69.69 -34.49 74.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 72.450000000000003 110.918 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.594 ' HB2' HD12 ' A' ' 22' ' ' LEU . . . -68.76 -52.06 34.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 74.040000000000006 111.011 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.54 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -51.71 -40.11 59.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 34.450000000000003 111.128 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -44.65 92.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 73.310000000000002 110.848 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.664 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -69.25 -40.81 77.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 32.420000000000002 111.111 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.664 ' SD ' HD13 ' A' ' 18' ' ' LEU . 44.0 mmm -72.34 -8.33 54.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 43.140000000000001 110.881 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.41 ' C ' HD23 ' A' ' 64' ' ' LEU . . . 74.82 46.75 16.47 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.713 -0.756 . . . . 73.129999999999995 112.485 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.582 HD13 HG11 ' A' ' 67' ' ' VAL . 6.3 mt -108.69 -163.9 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.819 0.342 . . . . 54.119999999999997 110.909 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.6 t -158.19 -76.03 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 74.439999999999998 110.826 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.49 -13.09 59.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 42.520000000000003 111.095 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.582 HG11 HD13 ' A' ' 64' ' ' LEU . 69.7 t -60.26 -17.44 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 71.400000000000006 111.097 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.51 106.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 61.340000000000003 111.071 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.3 mtp 64.91 84.44 0.18 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.573 0.702 . . . . 75.5 110.848 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 -37.9 8.35 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.65 2.233 . . . . 64.420000000000002 112.4 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.7 t -160.22 177.13 10.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 74.140000000000001 111.12 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -51.52 140.09 18.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 75.519999999999996 110.868 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.496 ' CB ' HG11 ' A' ' 51' ' ' VAL . 30.7 m-85 -118.24 -15.79 9.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 52.439999999999998 110.855 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.51 -18.55 11.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 42.229999999999997 111.134 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.5 t -126.88 11.09 7.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 54.109999999999999 111.102 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.437 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -104.32 170.53 7.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 55.43 111.136 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.9 p -121.69 171.21 9.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 44.439999999999998 111.091 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.849 HG11 HD11 ' A' ' 34' ' ' LEU . 33.2 m -54.72 -37.61 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 71.5 111.059 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -64.25 -39.43 93.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 73.5 110.86 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -68.6 -48.73 63.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 41.039999999999999 110.864 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 35.1 ttm -62.27 -41.9 98.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 72.430000000000007 110.823 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.708 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -68.56 -42.47 78.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 74.540000000000006 111.069 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.63 -44.38 86.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 61.030000000000001 110.886 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.33 94.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 65.140000000000001 111.068 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.538 HD12 ' CG2' ' A' ' 19' ' ' VAL . 14.9 mt -70.1 -44.85 68.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 73.340000000000003 110.892 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -32.08 73.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 74.329999999999998 110.935 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 74.099999999999994 111.082 179.876 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.859 0.361 . . . . 73.439999999999998 111.1 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.552 HD22 ' HB1' ' A' ' 82' ' ' ALA . 1.0 OUTLIER -71.43 -46.13 60.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 75.219999999999999 110.933 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -69.4 -33.49 73.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.349999999999994 110.842 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.696 HD11 ' CB ' ' A' ' 61' ' ' ALA . 4.4 tt -67.17 -52.7 38.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 71.310000000000002 110.904 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.773 HG21 ' HA ' ' A' ' 82' ' ' ALA . 5.9 t -65.19 -45.38 94.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 72.349999999999994 111.098 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.5 -39.86 94.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 74.239999999999995 110.895 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -63.61 -55.71 21.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 73.340000000000003 110.84 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.461 HD13 ' HB3' ' A' ' 57' ' ' GLU . 96.4 mt -57.37 -35.85 70.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 74.409999999999997 110.934 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.614 HG13 HD13 ' A' ' 44' ' ' LEU . 2.1 t -71.89 -48.26 51.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 75.219999999999999 111.164 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.72 -48.24 81.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 70.299999999999997 111.126 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.94 -28.43 69.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 61.340000000000003 110.89 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.53 -24.91 45.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 70.549999999999997 110.869 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.37 14.99 14.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 74.120000000000005 111.127 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 59.96 40.64 18.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 72.310000000000002 110.856 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.1 mt -147.58 159.32 41.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.566 0.698 . . . . 72.409999999999997 110.921 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 157.1 61.35 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.568 2.179 . . . . 74.430000000000007 112.354 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.419 ' O ' HG22 ' A' ' 31' ' ' VAL . 8.8 p -77.34 -14.04 14.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 73.329999999999998 111.125 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.45 -20.53 36.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 44.030000000000001 110.881 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.1 p -101.7 -1.93 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.503 . . . . 63.039999999999999 111.064 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.833 HD11 HG11 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -69.31 121.01 16.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 64.140000000000001 110.882 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -79.57 146.67 32.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 75.400000000000006 110.88 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.2 -27.22 61.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 71.129999999999995 110.878 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -101.9 18.27 21.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.443 . . . . 71.140000000000001 110.881 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.26 139.32 44.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 74.209999999999994 110.928 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -94.64 156.37 16.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 70.040000000000006 110.862 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.523 ' HA ' HD12 ' A' ' 44' ' ' LEU . 42.9 m-85 -83.41 23.56 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 70.340000000000003 110.91 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.446 HD12 ' O ' ' A' ' 74' ' ' ALA . 13.9 mt -157.41 -41.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 72.430000000000007 110.924 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -58.28 -52.42 65.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 61.32 110.899 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.79 -55.94 2.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 72.109999999999999 110.864 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.614 HD13 HG13 ' A' ' 23' ' ' VAL . 26.6 mt -57.55 -25.61 60.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 72.450000000000003 110.957 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 41' ' ' LEU . 13.5 t-80 48.37 73.46 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 73.129999999999995 110.84 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -130.27 112.26 13.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 55.100000000000001 110.9 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.752 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.6 m -60.41 160.46 8.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 43.009999999999998 110.859 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -48.53 -38.19 19.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 72.219999999999999 110.876 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.8 mm -74.47 -39.54 48.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 74.430000000000007 111.13 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.5 m -63.62 -38.44 91.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 73.239999999999995 111.155 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 47' ' ' SER . 6.1 t -63.27 -49.18 84.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 72.420000000000002 111.101 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.61 -28.45 56.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 54.350000000000001 112.46 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -66.74 -43.84 83.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.345 . . . . 72.329999999999998 110.925 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.07 -33.06 33.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 64.349999999999994 110.879 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.6 t -58.63 -35.42 55.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 75.030000000000001 111.137 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -66.83 -32.88 74.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 74.099999999999994 110.889 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.461 ' HB3' HD13 ' A' ' 22' ' ' LEU . 32.4 tp10 -70.44 -34.01 71.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 74.040000000000006 110.95 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.09 -51.18 49.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 64.400000000000006 111.112 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.796 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -60.31 -36.08 77.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 73.140000000000001 111.106 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -44.83 93.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 72.129999999999995 110.903 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.696 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -69.21 -37.95 78.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 53.149999999999999 111.097 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.424 ' HB2' ' HG ' ' A' ' 64' ' ' LEU . 99.6 mmm -71.84 -22.53 61.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 74.340000000000003 110.925 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.96 17.29 38.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 75.409999999999997 112.433 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.796 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 7.1 mt -75.72 -165.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 73.409999999999997 110.937 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.0 t -159.11 -76.81 0.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.24 -0.436 . . . . 65.200000000000003 110.788 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.04 -12.61 59.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 63.030000000000001 111.092 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.548 HG11 HD13 ' A' ' 64' ' ' LEU . 93.6 t -60.7 -16.61 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.310000000000002 111.136 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.64 106.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 71.150000000000006 111.107 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.0 mtp 64.51 82.99 0.2 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.533 0.682 . . . . 64.549999999999997 110.899 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -24.47 29.49 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.655 2.237 . . . . 63.329999999999998 112.287 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.0 t -175.79 174.98 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 50.25 111.149 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -50.07 140.24 12.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 74.239999999999995 110.947 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.524 ' CB ' HG11 ' A' ' 51' ' ' VAL . 30.1 m-85 -119.09 -19.0 8.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 71.430000000000007 110.83 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.446 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -54.74 -19.09 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 60.329999999999998 111.095 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.4 t -124.34 10.98 8.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 73.319999999999993 111.138 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -105.38 172.67 6.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 50.039999999999999 111.06 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.8 p -120.61 168.43 11.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 64.409999999999997 111.128 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.833 HG11 HD11 ' A' ' 34' ' ' LEU . 6.1 m -54.24 -35.41 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 42.100000000000001 111.127 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.12 -38.88 89.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 72.219999999999999 110.891 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -67.52 -48.56 66.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 73.329999999999998 110.874 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 37.0 ttm -62.7 -43.62 98.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 72.129999999999995 110.89 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.773 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -68.55 -42.86 77.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 73.140000000000001 111.102 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -66.97 -36.5 82.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 60.439999999999998 110.841 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.14 91.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 72.450000000000003 111.015 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.66 HD12 ' CG2' ' A' ' 19' ' ' VAL . 89.6 mt -69.98 -44.54 69.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.413 . . . . 75.230000000000004 110.911 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -32.5 74.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 73.129999999999995 110.93 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 71.099999999999994 111.151 179.902 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.413 ' HB2' ' HE1' ' A' ' 62' ' ' MET . . . . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.809 0.338 . . . . 44.5 111.084 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.62 -45.44 71.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 60.119999999999997 110.909 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -70.48 -33.74 71.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 63.219999999999999 110.894 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.773 HD11 ' HB3' ' A' ' 61' ' ' ALA . 8.6 tt -62.96 -52.76 61.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 63.240000000000002 110.953 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.754 HG21 ' HA ' ' A' ' 82' ' ' ALA . 2.3 t -63.09 -50.74 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 73.409999999999997 111.12 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -58.43 -39.4 79.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 74.409999999999997 110.828 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -63.74 -54.68 31.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 71.340000000000003 110.843 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.488 HD13 ' HB3' ' A' ' 57' ' ' GLU . 57.6 mt -56.67 -36.06 69.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 64.010000000000005 110.828 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.567 HG21 ' HE1' ' A' ' 40' ' ' PHE . 1.5 t -72.27 -49.48 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 54.549999999999997 111.046 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.72 -48.16 78.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 74.409999999999997 111.162 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -63.8 -26.34 68.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 73.430000000000007 110.909 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.456 ' HB2' ' HE1' ' A' ' 46' ' ' MET . 1.2 mmp_? -79.19 -29.0 42.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 64.439999999999998 110.895 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.49 10.93 20.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 74.420000000000002 111.104 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 63.23 27.31 15.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 73.099999999999994 110.845 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.8 mt -128.59 157.96 73.41 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.515 0.674 . . . . 73.140000000000001 110.968 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 148.63 65.38 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.657 2.238 . . . . 71.310000000000002 112.318 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.431 ' O ' HG22 ' A' ' 31' ' ' VAL . 8.0 p -70.96 -13.41 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 75.230000000000004 111.125 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.51 -19.92 37.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.299999999999997 110.868 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -103.6 -3.56 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 65.120000000000005 111.155 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.837 HD11 HG11 ' A' ' 78' ' ' VAL . 0.3 OUTLIER -69.41 120.23 14.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 75.530000000000001 110.868 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.98 144.97 32.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 65.409999999999997 110.921 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -72.36 -26.26 61.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.329999999999998 110.92 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -98.95 17.65 19.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 63.219999999999999 110.889 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.64 131.99 39.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 62.450000000000003 110.842 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -86.04 159.03 19.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 75.519999999999996 110.794 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.567 ' HE1' HG21 ' A' ' 23' ' ' VAL . 48.1 m-85 -86.3 23.01 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 70.140000000000001 110.839 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.422 HD21 ' HA ' ' A' ' 47' ' ' SER . 13.0 mt -156.8 -42.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 74.439999999999998 110.884 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -60.01 -52.06 67.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 71.120000000000005 110.881 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.06 -58.1 2.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 43.340000000000003 110.847 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 40' ' ' PHE . 25.4 mt -57.47 -24.56 56.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 44.240000000000002 110.926 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 37.2 t60 48.53 63.95 1.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.530000000000001 110.86 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.456 ' HE1' ' HB2' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -121.67 105.92 10.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 71.299999999999997 110.916 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.805 ' O ' HG23 ' A' ' 51' ' ' VAL . 45.7 m -55.52 161.9 1.82 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 62.32 110.874 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -47.21 -39.32 13.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 34.329999999999998 110.883 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 42.5 mm -74.35 -40.66 49.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 70.409999999999997 111.096 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.8 m -62.76 -38.83 92.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 71.099999999999994 111.111 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 47' ' ' SER . 3.9 t -63.48 -49.34 83.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 63.130000000000003 111.138 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.432 ' O ' HG12 ' A' ' 55' ' ' VAL . . . -58.17 -27.66 60.42 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.765 -0.731 . . . . 43.009999999999998 112.452 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -64.27 -47.73 78.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 54.409999999999997 110.932 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.411 ' C ' HD12 ' A' ' 54' ' ' LEU . 0.8 OUTLIER -82.13 -32.29 30.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 53.119999999999997 110.906 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.517 HG11 ' HG2' ' A' ' 69' ' ' MET . 0.3 OUTLIER -58.96 -28.73 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 73.540000000000006 111.138 179.809 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -69.31 -41.91 76.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 73.010000000000005 110.924 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.488 ' HB3' HD13 ' A' ' 22' ' ' LEU . 3.4 tp10 -62.02 -35.61 79.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 72.049999999999997 110.883 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.603 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -61.24 -51.78 67.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 73.209999999999994 111.174 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.652 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -59.6 -35.36 74.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 33.340000000000003 111.074 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -46.02 90.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 74.140000000000001 110.868 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.773 ' HB3' HD11 ' A' ' 18' ' ' LEU . . . -69.45 -39.44 77.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 64.329999999999998 111.115 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.413 ' HE1' ' HB2' ' A' ' 15' ' ' ALA . 74.6 mmm -70.52 -21.62 62.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 72.420000000000002 110.874 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.64 32.85 12.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.746 . . . . 72.310000000000002 112.518 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.652 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 6.6 mt -91.99 -165.89 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 54.119999999999997 110.902 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.6 t -157.5 -77.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 75.340000000000003 110.812 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.32 -12.93 60.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.530000000000001 111.063 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.622 HG21 HD13 ' A' ' 64' ' ' LEU . 57.7 t -61.62 -16.24 14.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 62.43 111.102 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.8 107.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 74.049999999999997 111.064 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.517 ' HG2' HG11 ' A' ' 55' ' ' VAL . 1.5 mtp 65.22 81.81 0.21 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.59 0.709 . . . . 71.530000000000001 110.861 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -29.72 23.31 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.725 2.283 . . . . 63.409999999999997 112.337 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.7 t -170.7 176.7 4.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 74.340000000000003 111.132 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -50.37 143.03 9.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 70.510000000000005 110.849 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.456 ' CB ' HG11 ' A' ' 51' ' ' VAL . 32.7 m-85 -122.34 -17.58 7.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 75.430000000000007 110.929 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.22 -19.03 7.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 71.400000000000006 111.137 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 t -124.57 10.88 8.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 61.310000000000002 111.121 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.408 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -105.83 169.1 8.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 60.549999999999997 111.092 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 29.1 p -119.28 172.14 7.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 74.549999999999997 111.099 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.837 HG11 HD11 ' A' ' 34' ' ' LEU . 21.3 m -53.9 -36.82 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 64.120000000000005 111.065 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.433 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 0.7 OUTLIER -65.67 -43.26 89.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 75.519999999999996 110.835 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.65 -48.66 78.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.129999999999995 110.86 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 27.5 ttm -64.08 -36.62 84.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 73.349999999999994 110.902 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.754 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -69.17 -51.34 39.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 52.009999999999998 111.029 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 79' ' ' ARG . 24.4 pt-20 -59.84 -35.97 75.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 54.210000000000001 110.921 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.62 85.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 65.200000000000003 111.075 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.47 HD12 ' CG2' ' A' ' 19' ' ' VAL . 40.1 mt -72.35 -44.73 62.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 63.049999999999997 110.89 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -62.17 -36.69 82.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 74.019999999999996 110.911 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 31.41 111.062 179.922 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.417 ' HB3' ' HG2' ' A' ' 86' ' ' GLU . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.735 0.302 . . . . 73.040000000000006 111.054 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.647 HD22 ' HB1' ' A' ' 82' ' ' ALA . 1.3 mm? -69.06 -34.38 75.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 73.409999999999997 110.874 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -34.34 73.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 74.310000000000002 110.843 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.726 HD11 ' CB ' ' A' ' 61' ' ' ALA . 3.8 tt -67.32 -52.94 34.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.179 -0.464 . . . . 73.340000000000003 110.88 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.751 HG21 ' HA ' ' A' ' 82' ' ' ALA . 3.8 t -63.4 -49.91 80.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 64.5 111.18 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.615 ' HD2' HD12 ' A' ' 16' ' ' LEU . 34.5 mtp180 -58.88 -39.88 82.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 73.510000000000005 110.925 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -63.99 -51.76 62.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 74.040000000000006 110.796 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.593 HD13 ' HB3' ' A' ' 57' ' ' GLU . 44.4 mt -57.79 -36.17 71.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 62.340000000000003 110.897 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.539 HG22 ' HE1' ' A' ' 46' ' ' MET . 0.9 OUTLIER -72.35 -44.94 62.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 75.230000000000004 111.094 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.418 ' N ' HG12 ' A' ' 23' ' ' VAL . . . -59.82 -48.06 83.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 74.450000000000003 111.099 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -64.65 -28.52 69.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 74.450000000000003 110.909 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.74 -17.7 52.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 73.450000000000003 110.872 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.3 13.64 34.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 62.530000000000001 111.121 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 55.47 46.16 23.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 74.010000000000005 110.838 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.87 HD11 HD23 ' A' ' 34' ' ' LEU . 3.9 pp -147.61 157.14 44.96 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.63 0.728 . . . . 73.230000000000004 110.913 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.537 ' O ' HG12 ' A' ' 33' ' ' VAL . 52.9 Cg_endo -69.77 135.75 31.22 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.643 2.228 . . . . 74.329999999999998 112.367 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.01 -16.7 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 70.140000000000001 111.124 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.9 -19.66 57.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 74.400000000000006 110.947 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' ' 30' ' ' PRO . 1.4 p -104.65 -0.89 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 73.239999999999995 111.071 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.87 HD23 HD11 ' A' ' 29' ' ' LEU . 1.2 tm? -69.17 120.42 14.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 74.319999999999993 110.907 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.493 ' O ' HD13 ' A' ' 34' ' ' LEU . 1.4 mmm180 -80.62 150.32 29.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 73.329999999999998 110.905 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.14 -25.67 60.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 73.439999999999998 110.939 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -99.9 18.25 18.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 73.239999999999995 110.845 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.1 p -72.97 122.47 21.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 54.130000000000003 110.866 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.405 ' HB2' ' H ' ' A' ' 42' ' ' ASP . 5.5 mtp180 -84.62 152.24 23.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 73.329999999999998 110.798 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.499 ' HE1' HG21 ' A' ' 23' ' ' VAL . 24.6 m-85 -79.54 25.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 74.209999999999994 110.867 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.53 HD12 ' O ' ' A' ' 74' ' ' ALA . 12.8 mt -159.3 -43.24 0.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 75.209999999999994 110.889 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.405 ' H ' ' HB2' ' A' ' 39' ' ' ARG . 39.6 t0 -57.04 -56.11 25.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 64.420000000000002 110.831 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.39 -56.18 2.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 73.540000000000006 110.869 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.456 HD13 HG13 ' A' ' 23' ' ' VAL . 27.1 mt -55.89 -25.52 43.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 72.010000000000005 110.92 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.0 t60 48.06 79.39 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 74.420000000000002 110.837 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.539 ' HE1' HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -135.82 109.2 7.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 54.340000000000003 110.839 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.753 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.7 m -57.79 159.84 5.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 75.140000000000001 110.857 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 p -48.23 -37.85 17.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 74.540000000000006 110.772 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.512 ' H ' HD12 ' A' ' 49' ' ' ILE . 5.3 mp -74.5 -40.66 48.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 71.349999999999994 111.156 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.5 m -62.95 -37.62 87.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 53.520000000000003 111.168 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 47' ' ' SER . 6.2 t -64.17 -49.3 81.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 55.310000000000002 111.183 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.68 -28.21 56.34 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.766 -0.731 . . . . 74.109999999999999 112.521 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -67.02 -44.54 80.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 73.140000000000001 110.94 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.94 -32.44 34.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 74.519999999999996 110.997 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.2 t -58.05 -35.05 50.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 75.25 111.141 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -66.75 -31.24 71.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 62.219999999999999 110.874 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.593 ' HB3' HD13 ' A' ' 22' ' ' LEU . 12.6 tp10 -70.58 -34.12 71.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 75.340000000000003 110.85 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.492 ' HB2' HD12 ' A' ' 22' ' ' LEU . . . -67.65 -52.45 37.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 73.420000000000002 111.128 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.734 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -58.18 -38.15 76.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 65.129999999999995 111.125 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -42.22 94.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 72.5 110.819 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.726 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -68.77 -41.45 78.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 73.230000000000004 111.099 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.561 ' SD ' HD13 ' A' ' 18' ' ' LEU . 10.9 mmm -71.24 -21.52 62.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 60.240000000000002 110.894 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.98 2.37 56.04 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.757 -0.735 . . . . 70.239999999999995 112.464 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.734 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 18.4 mt -66.49 -163.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 63.32 110.916 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.9 p -167.0 -76.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 53.200000000000003 110.863 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.55 -12.87 61.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 75.219999999999999 111.096 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.591 HG11 HD13 ' A' ' 64' ' ' LEU . 99.6 t -62.37 -15.32 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 70.530000000000001 111.112 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 67' ' ' VAL . . . -37.14 105.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 74.340000000000003 111.116 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.3 mtp 62.31 82.27 0.22 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 72.510000000000005 110.89 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -22.23 32.37 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.617 2.211 . . . . 53.32 112.415 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.0 t -176.49 171.33 2.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 52.130000000000003 111.179 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -48.95 139.51 10.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 73.219999999999999 110.9 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.514 ' CB ' HG11 ' A' ' 51' ' ' VAL . 30.4 m-85 -119.16 -19.93 8.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 65.420000000000002 110.87 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.53 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -54.13 -19.67 5.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 61.149999999999999 111.118 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.7 t -123.38 10.89 9.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 72.439999999999998 111.119 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.43 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -107.17 173.81 6.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 51.219999999999999 111.151 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.0 p -123.71 169.5 11.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 53.030000000000001 111.115 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.695 HG11 HD11 ' A' ' 34' ' ' LEU . 35.5 m -52.44 -37.16 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 55.25 111.148 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.59 -38.74 92.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 74.310000000000002 110.891 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -68.47 -48.34 64.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 60.039999999999999 110.881 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.403 ' HE3' ' CE1' ' A' ' 40' ' ' PHE . 40.3 ttm -62.79 -43.47 98.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 71.140000000000001 110.874 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.751 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -68.92 -43.88 74.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 75.530000000000001 111.063 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.8 -40.83 89.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 71.549999999999997 110.884 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.43 -48.17 82.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 73.129999999999995 111.126 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.527 HD12 ' CG2' ' A' ' 19' ' ' VAL . 44.4 mt -72.16 -31.98 66.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 74.230000000000004 110.947 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.417 ' HG2' ' HB3' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -60.78 -47.08 87.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 63.539999999999999 110.83 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 73.140000000000001 111.106 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.89 0.376 . . . . 72.209999999999994 111.127 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -57.86 -46.97 84.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 71.400000000000006 110.894 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -32.96 68.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 61.409999999999997 110.922 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.699 HD11 ' CB ' ' A' ' 61' ' ' ALA . 1.5 tt -60.26 -53.52 56.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 73.329999999999998 110.975 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.711 HG21 ' HA ' ' A' ' 82' ' ' ALA . 4.4 t -60.91 -53.49 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 53.100000000000001 111.189 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.7 mtp85 -56.83 -38.37 72.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 75.019999999999996 110.871 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -67.47 -54.42 20.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 52.299999999999997 110.81 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.503 HD13 ' HB3' ' A' ' 57' ' ' GLU . 63.3 mt -57.28 -40.49 77.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 63.310000000000002 110.975 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 19' ' ' VAL . 68.7 t -72.02 -48.61 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 62.210000000000001 111.117 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.45 -48.37 74.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 53.539999999999999 111.121 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.45 -25.11 67.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 64.329999999999998 110.857 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.47 -25.44 50.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 74.430000000000007 110.87 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.44 11.12 24.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 52.43 111.085 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.77 39.34 6.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 72.439999999999998 110.89 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.515 HD22 HG21 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -147.27 159.45 42.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.635 0.731 . . . . 74.109999999999999 110.877 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.64 ' O ' HG22 ' A' ' 33' ' ' VAL . 53.2 Cg_endo -69.83 156.26 63.61 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.717 2.278 . . . . 70.230000000000004 112.299 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 31' ' ' VAL . 13.0 p -74.51 -6.27 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 43.219999999999999 111.163 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.26 -24.38 37.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 64.239999999999995 110.885 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 30' ' ' PRO . 24.4 m -92.52 -12.35 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 64.310000000000002 111.146 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.937 HD11 HG11 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -69.83 121.44 17.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 75.219999999999999 110.947 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -99.61 157.14 16.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 62.420000000000002 110.897 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -72.1 -15.36 62.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 74.129999999999995 110.909 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -108.56 17.64 21.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 73.439999999999998 110.891 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.449 ' O ' HG13 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -85.44 94.11 8.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 62.219999999999999 110.901 -179.766 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.449 ' HA ' HG22 ' A' ' 77' ' ' THR . 2.7 mtp180 -50.73 160.39 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 74.400000000000006 110.895 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.668 ' HA ' HD12 ' A' ' 44' ' ' LEU . 65.1 m-85 -83.15 18.42 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 74.030000000000001 110.927 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 40' ' ' PHE . 1.0 OUTLIER -152.7 -32.42 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 74.430000000000007 110.92 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -74.01 -61.88 1.7 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 70.549999999999997 110.867 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.39 0.89 31.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.163 -0.471 . . . . 64.120000000000005 110.853 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 40' ' ' PHE . 96.2 mt -121.2 -24.64 5.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 65.540000000000006 110.9 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 41' ' ' LEU . 7.8 t-80 47.03 50.29 14.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 62.450000000000003 110.853 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.1 mmm -107.7 127.57 53.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 73.349999999999994 110.943 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.796 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.8 m -72.3 154.34 41.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 64.010000000000005 110.841 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 p -47.37 -38.64 13.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 63.32 110.877 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.9 mm -74.17 -42.0 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 53.420000000000002 111.166 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 82.3 m -60.73 -37.04 80.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 45.240000000000002 111.16 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 47' ' ' SER . 4.1 t -61.86 -49.79 82.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 64.430000000000007 111.108 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.457 ' O ' HG12 ' A' ' 55' ' ' VAL . . . -58.55 -26.85 60.3 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.739 -0.744 . . . . 50.350000000000001 112.503 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -65.95 -46.91 76.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 54.130000000000003 110.897 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.449 HD11 HG22 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -82.48 -31.96 29.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 71.540000000000006 110.939 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.557 HG11 ' HG2' ' A' ' 69' ' ' MET . 0.3 OUTLIER -58.06 -28.56 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 74.420000000000002 111.171 179.779 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -69.9 -39.0 76.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 71.219999999999999 110.835 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.503 ' HB3' HD13 ' A' ' 22' ' ' LEU . 11.5 tp10 -61.38 -34.9 76.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 72.209999999999994 110.941 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.433 ' HB2' HD12 ' A' ' 22' ' ' LEU . . . -65.59 -52.62 50.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 53.399999999999999 111.113 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.407 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -52.11 -39.26 59.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 63.020000000000003 111.148 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -44.73 94.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 70.319999999999993 110.889 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.699 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -69.2 -42.49 75.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 44.210000000000001 111.137 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.653 ' SD ' HD13 ' A' ' 18' ' ' LEU . 65.7 mmm -71.61 -9.17 57.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 60.049999999999997 110.953 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.3 50.76 20.26 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 52.439999999999998 112.415 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.593 HD13 HG11 ' A' ' 67' ' ' VAL . 9.0 mt -108.92 -164.44 0.94 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.848 0.356 . . . . 74.109999999999999 110.911 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.0 t -157.73 -75.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 54.210000000000001 110.924 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.39 -13.87 59.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 63.310000000000002 111.081 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.593 HG11 HD13 ' A' ' 64' ' ' LEU . 72.0 t -61.57 -16.88 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 74.010000000000005 111.105 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -43.79 106.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 51.32 111.122 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.557 ' HG2' HG11 ' A' ' 55' ' ' VAL . 2.0 mtp 65.85 82.65 0.2 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.601 0.715 . . . . 73.349999999999994 110.856 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -31.65 20.2 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.655 2.237 . . . . 74.430000000000007 112.356 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.8 t -168.68 174.58 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 73.109999999999999 111.135 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -50.02 143.51 7.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 74.519999999999996 110.897 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.508 ' HB3' HG11 ' A' ' 51' ' ' VAL . 40.7 m-85 -122.64 -6.29 8.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 61.240000000000002 110.9 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.451 ' HA ' HD11 ' A' ' 41' ' ' LEU . . . -68.24 -5.92 20.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 73.150000000000006 111.12 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 t -137.97 10.12 2.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 63.43 111.106 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.91 173.83 6.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 63.329999999999998 111.066 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.449 HG22 ' HA ' ' A' ' 39' ' ' ARG . 1.6 p -119.74 168.37 11.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 65.239999999999995 111.215 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.937 HG11 HD11 ' A' ' 34' ' ' LEU . 5.5 m -53.14 -36.09 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 74.400000000000006 111.136 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -67.16 -39.33 86.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 70.219999999999999 110.858 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -64.08 -48.68 75.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 74.530000000000001 110.84 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.409 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 25.0 ttm -63.18 -40.63 98.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 73.439999999999998 110.914 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.711 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -68.98 -49.58 56.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 63.439999999999998 111.065 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -59.37 -36.06 75.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 70.010000000000005 110.873 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.64 -40.57 73.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 71.439999999999998 111.105 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.5 mt -71.07 -45.02 64.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 64.140000000000001 110.893 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -64.13 -33.53 76.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 54.43 110.929 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 43.119999999999997 111.092 179.916 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.756 0.312 . . . . 74.120000000000005 111.069 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.5 HD22 ' HB1' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -57.36 -40.98 79.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 75.109999999999999 110.936 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -34.15 70.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.155 -0.475 . . . . 60.520000000000003 110.883 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.69 HD11 ' CB ' ' A' ' 61' ' ' ALA . 1.6 tt -60.69 -53.92 51.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 71.349999999999994 110.963 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.74 HG21 ' HA ' ' A' ' 82' ' ' ALA . 5.9 t -65.32 -51.57 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 74.340000000000003 111.158 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.809 ' HG2' HD12 ' A' ' 34' ' ' LEU . 20.7 mtp180 -55.49 -38.35 69.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 73.010000000000005 110.896 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -65.89 -59.46 3.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 74.329999999999998 110.895 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.1 mt -57.04 -36.54 70.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 64.310000000000002 110.861 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.677 HG13 HD13 ' A' ' 44' ' ' LEU . 1.5 t -71.46 -48.92 50.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 74.409999999999997 111.134 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.524 ' HB1' HD12 ' A' ' 29' ' ' LEU . . . -60.8 -46.67 89.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 54.140000000000001 111.132 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.19 -25.62 68.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 71.129999999999995 110.876 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -78.47 -28.6 46.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 73.549999999999997 110.791 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.435 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -88.33 9.08 24.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 72.409999999999997 111.029 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 64.26 44.84 4.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 63.229999999999997 110.87 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.524 HD12 ' HB1' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -147.91 159.72 39.69 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.6 0.714 . . . . 74.420000000000002 110.901 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.502 ' O ' HG12 ' A' ' 33' ' ' VAL . 54.5 Cg_endo -69.69 143.59 51.66 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.69 2.26 . . . . 75.319999999999993 112.381 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 31' ' ' VAL . 11.4 p -68.64 -11.86 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 72.319999999999993 111.141 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.5 -21.02 38.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.200000000000003 110.91 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.502 HG12 ' O ' ' A' ' 30' ' ' PRO . 2.3 p -101.12 -3.19 9.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 74.140000000000001 111.114 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.998 HD11 HG11 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -68.96 118.15 11.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 55.210000000000001 110.933 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.6 mtp85 -91.11 157.11 17.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 75.319999999999993 110.91 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -75.47 -14.63 60.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 73.409999999999997 110.892 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -97.53 -6.81 32.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 64.5 110.819 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.65 ' O ' HG13 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -62.74 107.82 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 64.209999999999994 110.841 -179.768 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.451 ' HG2' HG22 ' A' ' 77' ' ' THR . 4.8 mtp180 -73.74 162.05 29.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 61.32 110.856 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.596 ' HE1' HG21 ' A' ' 23' ' ' VAL . 39.8 m-85 -84.54 24.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 71.040000000000006 110.875 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' 74' ' ' ALA . 12.6 mt -157.78 -39.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 72.319999999999993 110.942 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.408 ' H ' ' HB2' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -62.23 -57.48 11.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 74.420000000000002 110.906 179.805 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.99 -56.95 2.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 60.119999999999997 110.878 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.677 HD13 HG13 ' A' ' 23' ' ' VAL . 22.1 mt -58.69 -27.31 64.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 74.040000000000006 110.895 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 41' ' ' LEU . 5.7 t-160 49.52 74.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 74.219999999999999 110.895 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.515 ' HB2' HG22 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -131.46 113.45 13.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 52.130000000000003 110.895 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.757 ' O ' HG23 ' A' ' 51' ' ' VAL . 21.1 m -58.74 160.15 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 74.329999999999998 110.853 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 p -47.9 -39.45 18.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 73.099999999999994 110.834 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 41.7 mm -74.83 -37.83 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 71.420000000000002 111.148 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.3 m -64.9 -38.49 91.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 71.109999999999999 111.14 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 47' ' ' SER . 6.5 t -63.59 -47.76 89.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 62.140000000000001 111.152 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.461 ' O ' HG12 ' A' ' 55' ' ' VAL . . . -59.34 -27.88 63.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 62.509999999999998 112.482 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -47.48 81.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 75.340000000000003 110.916 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.412 ' C ' HD12 ' A' ' 54' ' ' LEU . 0.8 OUTLIER -81.98 -32.33 30.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 75.109999999999999 110.916 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.501 HG11 ' HG2' ' A' ' 69' ' ' MET . 0.3 OUTLIER -58.55 -28.79 37.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 52.140000000000001 111.173 179.755 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.8 -40.42 75.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 74.510000000000005 110.886 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -61.63 -36.0 79.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 72.340000000000003 110.815 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.73 -51.4 62.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 65.150000000000006 111.119 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.437 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -54.4 -38.37 66.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 55.5 111.151 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -59.64 -44.19 93.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 74.310000000000002 110.87 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.69 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -69.05 -41.56 77.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 71.200000000000003 111.063 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.631 ' SD ' HD13 ' A' ' 18' ' ' LEU . 68.8 mmm -72.05 -8.12 52.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 74.310000000000002 110.909 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.52 48.32 30.22 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.785 -0.721 . . . . 74.409999999999997 112.521 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.608 HD13 HG11 ' A' ' 67' ' ' VAL . 8.4 mt -107.02 -164.29 0.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 70.319999999999993 110.927 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.2 t -158.91 -75.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 65.430000000000007 110.885 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.97 -13.09 60.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 72.310000000000002 111.089 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.608 HG11 HD13 ' A' ' 64' ' ' LEU . 96.7 t -60.69 -17.16 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.416 . . . . 61.240000000000002 111.081 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.14 106.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 62.149999999999999 111.053 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.501 ' HG2' HG11 ' A' ' 55' ' ' VAL . 1.5 mtp 64.79 81.21 0.22 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.57 0.7 . . . . 64.519999999999996 110.845 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 -25.3 29.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.639 2.226 . . . . 71.349999999999994 112.39 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.3 t -175.12 173.38 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 73.219999999999999 111.237 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.541 HD22 HG22 ' A' ' 75' ' ' THR . 4.1 t30 -49.42 141.83 8.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 74.540000000000006 110.855 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.447 ' CB ' HG11 ' A' ' 51' ' ' VAL . 35.8 m-85 -120.83 -19.85 7.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 71.209999999999994 110.845 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.488 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -54.39 -19.56 5.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 70.530000000000001 111.099 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.541 HG22 HD22 ' A' ' 72' ' ' ASN . 8.5 t -122.92 10.63 9.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 74.019999999999996 111.161 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -105.24 176.69 5.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 72.209999999999994 111.115 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.451 HG22 ' HG2' ' A' ' 39' ' ' ARG . 20.9 p -124.84 169.87 11.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 71.430000000000007 111.045 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.998 HG11 HD11 ' A' ' 34' ' ' LEU . 3.5 m -53.57 -36.78 29.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 72.099999999999994 111.087 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -67.09 -38.3 85.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 72.150000000000006 110.862 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -65.11 -48.73 72.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 52.409999999999997 110.885 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 29.0 ttm -65.39 -39.86 92.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 65.340000000000003 110.85 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.74 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -69.34 -49.46 55.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 54.32 111.089 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -59.85 -36.63 77.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.294 -0.412 . . . . 75.25 110.864 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.17 -43.99 85.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 60.420000000000002 111.14 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.47 HD12 ' CG2' ' A' ' 19' ' ' VAL . 65.4 mt -71.8 -42.16 67.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 73.310000000000002 110.901 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.18 -31.1 70.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 54.439999999999998 110.847 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 64.25 111.14 179.898 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.848 0.356 . . . . 72.209999999999994 111.132 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.518 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -59.35 -38.86 81.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 73.400000000000006 110.955 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -32.9 71.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 72.450000000000003 110.918 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.719 HD11 ' CB ' ' A' ' 61' ' ' ALA . 3.4 tt -61.54 -53.41 56.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 70.109999999999999 110.963 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.734 ' CG2' HD12 ' A' ' 85' ' ' LEU . 2.8 t -62.52 -53.59 45.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 74.120000000000005 111.119 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -55.46 -39.36 70.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 73.519999999999996 110.88 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -64.52 -50.6 66.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.133 -0.485 . . . . 72.450000000000003 110.842 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.666 HD12 ' HB2' ' A' ' 58' ' ' ALA . 35.5 mt -57.16 -41.48 79.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 62.399999999999999 110.898 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.573 ' CG1' HD13 ' A' ' 44' ' ' LEU . 76.4 t -67.0 -49.18 76.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 75.109999999999999 111.069 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.79 -48.91 76.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 64.319999999999993 111.113 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -64.73 -28.23 69.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 75.530000000000001 110.857 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -78.95 -16.12 57.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 73.430000000000007 110.808 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.25 9.82 42.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 73.430000000000007 111.153 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 65.49 37.16 6.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 64.099999999999994 110.821 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.608 HD22 HG21 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -147.74 159.86 39.79 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.579 0.704 . . . . 72.120000000000005 110.925 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.573 ' HG2' HG13 ' A' ' 33' ' ' VAL . 53.6 Cg_endo -69.8 157.12 61.39 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.659 2.239 . . . . 73.120000000000005 112.345 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 31' ' ' VAL . 14.6 p -74.99 -5.63 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 72.349999999999994 111.175 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.8 -25.55 32.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 72.109999999999999 110.951 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.608 HG21 HD22 ' A' ' 29' ' ' LEU . 21.3 m -92.54 -8.31 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 62.310000000000002 111.074 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.849 HD11 HG11 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -69.78 127.19 32.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 73.450000000000003 110.949 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.6 155.2 18.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 71.420000000000002 110.884 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -73.18 -14.62 61.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 73.420000000000002 110.839 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -100.19 -6.59 25.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 73.400000000000006 110.816 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.46 ' O ' HG13 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -65.49 112.47 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 51.140000000000001 110.943 -179.837 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.487 ' HB2' ' H ' ' A' ' 42' ' ' ASP . 5.0 mtp180 -77.6 157.44 30.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 72.030000000000001 110.919 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.463 ' HA ' HD12 ' A' ' 44' ' ' LEU . 45.4 m-85 -78.85 22.29 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 74.109999999999999 110.922 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.534 HD12 ' O ' ' A' ' 74' ' ' ALA . 13.6 mt -158.84 -40.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 65.519999999999996 110.972 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.487 ' H ' ' HB2' ' A' ' 39' ' ' ARG . 23.1 t70 -57.47 -53.7 55.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 73.200000000000003 110.831 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.62 -51.47 2.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 62.310000000000002 110.82 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.573 HD13 ' CG1' ' A' ' 23' ' ' VAL . 13.8 mt -60.06 -25.06 65.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 73.209999999999994 110.98 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 41' ' ' LEU . 23.7 t-160 47.37 82.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 73.120000000000005 110.902 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.7 mtp -138.12 116.94 12.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 73.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.756 ' O ' HG23 ' A' ' 51' ' ' VAL . 6.6 m -61.38 155.57 21.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 53.219999999999999 110.841 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.74 -37.58 19.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 74.109999999999999 110.877 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.1 mm -73.88 -41.2 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 63.219999999999999 111.188 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.7 m -61.83 -35.05 77.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 71.040000000000006 111.173 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 47' ' ' SER . 4.6 t -65.97 -50.86 66.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 73.200000000000003 111.099 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.45 -28.03 58.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.795 -0.717 . . . . 53.039999999999999 112.445 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -62.72 -46.97 85.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 72.430000000000007 110.947 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.519 HD13 ' HB3' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -82.34 -31.91 29.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 71.329999999999998 110.916 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 51' ' ' VAL . 11.9 t -56.44 -33.94 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 65.200000000000003 111.123 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -67.44 -34.42 77.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 75.340000000000003 110.859 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -71.32 -34.06 70.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 74.329999999999998 110.899 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.666 ' HB2' HD12 ' A' ' 22' ' ' LEU . . . -64.39 -51.18 64.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 61.140000000000001 111.084 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.802 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -61.72 -36.15 80.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.282 -0.417 . . . . 50.350000000000001 111.169 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -43.54 94.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 65.040000000000006 110.829 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.719 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -68.99 -38.99 79.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 43.43 111.089 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.433 ' HB2' ' HG ' ' A' ' 64' ' ' LEU . 93.6 mmm -71.51 -22.74 61.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 72.530000000000001 110.931 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.29 14.41 41.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.747 . . . . 73.340000000000003 112.472 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.802 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 6.1 mt -75.15 -165.61 0.41 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.762 0.315 . . . . 50.130000000000003 110.958 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.3 p -158.32 -77.4 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 64.400000000000006 110.79 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.92 -12.66 60.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 62.229999999999997 111.056 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.573 HG21 HD13 ' A' ' 64' ' ' LEU . 97.8 t -60.49 -17.11 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.28 -0.418 . . . . 75.129999999999995 111.123 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.64 107.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.349999999999994 111.115 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.3 mtp 64.7 82.93 0.2 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.603 0.716 . . . . 65.109999999999999 110.899 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -24.54 29.83 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.734 2.289 . . . . 74.329999999999998 112.322 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.3 t -175.97 173.04 2.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 73.230000000000004 111.145 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -49.66 140.15 11.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 41.329999999999998 110.881 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.478 ' CB ' HG11 ' A' ' 51' ' ' VAL . 36.2 m-85 -118.58 -17.73 9.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 74.140000000000001 110.895 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.534 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -55.05 -18.65 5.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 74.299999999999997 111.092 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 t -124.88 11.19 8.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 72.219999999999999 111.135 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -106.7 171.98 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.305 -0.407 . . . . 32.32 111.037 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 61.5 p -118.43 168.25 10.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 71.400000000000006 111.156 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.849 HG11 HD11 ' A' ' 34' ' ' LEU . 7.6 m -53.84 -35.53 27.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 73.010000000000005 111.145 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -65.85 -39.61 90.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 64.510000000000005 110.874 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -65.15 -47.99 75.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 74.439999999999998 110.916 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.42 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 36.0 ttm -64.75 -41.97 95.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 42.409999999999997 110.927 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.623 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -68.33 -50.67 51.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 51.109999999999999 111.087 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.2 -35.79 78.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 65.209999999999994 110.883 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.54 -46.76 86.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 73.040000000000006 111.082 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.734 HD12 ' CG2' ' A' ' 19' ' ' VAL . 87.4 mt -70.86 -45.4 64.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 63.310000000000002 110.933 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -61.31 -33.92 74.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 73.530000000000001 110.839 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 74.450000000000003 111.027 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.839 0.352 . . . . 63.109999999999999 111.176 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.554 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -70.11 -44.2 69.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 74.120000000000005 110.923 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 21' ' ' HIS . 8.2 pt-20 -70.8 -33.67 70.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 70.299999999999997 110.854 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.774 HD11 ' CB ' ' A' ' 61' ' ' ALA . 9.9 tt -57.08 -51.75 68.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 74.530000000000001 110.976 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.693 HG21 ' HA ' ' A' ' 82' ' ' ALA . 2.4 t -63.1 -55.33 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 44.219999999999999 111.114 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.487 ' HG2' HD12 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -55.44 -39.02 69.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 75.150000000000006 110.88 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.567 ' CE1' HG21 ' A' ' 31' ' ' VAL . 19.0 t60 -61.91 -58.8 6.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 71.310000000000002 110.84 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.7 mt -55.71 -42.51 75.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 63.32 110.899 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.642 ' CG1' HD13 ' A' ' 44' ' ' LEU . 94.5 t -61.62 -45.0 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 60.229999999999997 111.075 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.418 ' HB1' ' HA ' ' A' ' 31' ' ' VAL . . . -62.9 -48.92 76.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 74.049999999999997 111.108 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -58.59 -26.58 63.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.140000000000001 110.821 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.458 ' HB2' ' HE1' ' A' ' 46' ' ' MET . 1.8 mmp_? -78.63 -18.36 54.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 63.219999999999999 110.946 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.76 5.59 43.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 64.230000000000004 111.158 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 63.56 64.75 0.78 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 74.310000000000002 110.929 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.837 HD22 HG21 ' A' ' 33' ' ' VAL . 34.4 mt -144.54 159.85 49.92 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.543 0.687 . . . . 74.200000000000003 110.924 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.739 ' HG2' HG13 ' A' ' 33' ' ' VAL . 54.1 Cg_endo -69.74 3.25 2.87 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.699 2.266 . . . . 73.140000000000001 112.331 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.567 HG21 ' CE1' ' A' ' 21' ' ' HIS . 58.5 t 76.44 -43.25 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 74.439999999999998 111.091 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -18.8 27.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 71.019999999999996 110.865 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.837 HG21 HD22 ' A' ' 29' ' ' LEU . 5.2 m -91.84 -10.47 9.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 52.43 111.198 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.844 HD11 HG11 ' A' ' 78' ' ' VAL . 0.5 OUTLIER -67.85 121.21 15.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 42.450000000000003 110.913 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.7 156.3 17.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 73.450000000000003 110.864 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -74.88 -15.17 60.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 65.140000000000001 110.893 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -110.54 18.86 19.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 70.219999999999999 110.836 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.506 ' O ' HG13 ' A' ' 78' ' ' VAL . 1.2 m -78.94 109.01 12.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 73.099999999999994 110.852 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.437 ' HE ' HG23 ' A' ' 77' ' ' THR . 3.0 mtp180 -65.77 156.51 32.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 73.530000000000001 110.905 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.66 ' HA ' HD12 ' A' ' 44' ' ' LEU . 55.4 m-85 -82.78 23.7 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 74.310000000000002 110.892 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.465 HD21 ' HA ' ' A' ' 47' ' ' SER . 13.4 mt -156.57 -39.66 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 75.329999999999998 110.858 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -65.89 -57.34 8.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 72.209999999999994 110.834 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.29 -55.69 2.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 51.509999999999998 110.932 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 40' ' ' PHE . 15.2 mt -62.36 -26.63 68.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 71.120000000000005 110.862 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 41' ' ' LEU . 4.1 t60 48.79 67.44 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 71.25 110.876 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.458 ' HE1' ' HB2' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -127.8 106.45 9.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 63.109999999999999 110.935 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.79 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -55.75 162.35 1.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 65.230000000000004 110.85 -179.821 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.3 p -47.68 -32.63 5.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 72.040000000000006 110.879 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 16.3 mm -75.88 -46.17 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.069 -0.514 . . . . 55.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.2 m -60.86 -37.18 81.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 64.420000000000002 111.105 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 47' ' ' SER . 4.8 t -63.86 -50.16 78.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 64.200000000000003 111.073 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.29 -27.72 58.18 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.685 -0.769 . . . . 74.219999999999999 112.495 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -67.25 -45.27 77.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.782 0.325 . . . . 74.340000000000003 110.885 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.412 ' HB2' ' HG3' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -80.98 -32.39 34.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.443 . . . . 73.200000000000003 110.876 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.9 t -58.31 -32.51 45.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 72.049999999999997 111.147 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.56 -33.57 75.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 75.140000000000001 110.871 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -71.18 -35.26 71.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 72.200000000000003 110.86 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.43 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -68.84 -52.56 28.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 50.109999999999999 111.074 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.702 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -54.82 -46.49 74.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 74.209999999999994 111.116 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -36.85 73.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 72.349999999999994 110.872 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.774 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -69.18 -42.89 75.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 51.130000000000003 111.129 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.652 ' HG3' HD22 ' A' ' 85' ' ' LEU . 85.8 mmm -71.26 -12.11 61.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 71.219999999999999 110.846 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.38 12.87 50.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.754 -0.736 . . . . 71.400000000000006 112.577 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.702 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 9.6 mt -78.26 -168.14 1.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 71.230000000000004 110.908 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.4 p -161.69 -74.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 72.329999999999998 110.913 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.85 -11.63 58.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 73.310000000000002 111.168 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.565 HG11 HD13 ' A' ' 64' ' ' LEU . 48.1 t -62.5 -13.62 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 75.340000000000003 111.051 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 67' ' ' VAL . . . -33.47 108.46 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 21.199999999999999 111.097 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.5 mtp 66.85 84.48 0.17 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.48 0.657 . . . . 72.230000000000004 110.851 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -23.58 30.55 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.685 2.257 . . . . 74.230000000000004 112.316 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.2 t -175.8 172.8 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 75.519999999999996 111.162 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.52 HD22 HG22 ' A' ' 75' ' ' THR . 4.7 t30 -49.62 141.0 10.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.428 . . . . 53.039999999999999 110.903 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.552 ' CB ' HG11 ' A' ' 51' ' ' VAL . 32.5 m-85 -120.89 -18.41 7.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 60.140000000000001 110.89 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.455 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -54.45 -20.27 7.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 72.109999999999999 111.105 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.52 HG22 HD22 ' A' ' 72' ' ' ASN . 8.8 t -122.27 10.67 9.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 73.140000000000001 111.148 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -107.24 170.68 7.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 73.420000000000002 111.148 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.437 HG23 ' HE ' ' A' ' 39' ' ' ARG . 13.3 p -120.63 171.65 8.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 71.340000000000003 111.186 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.844 HG11 HD11 ' A' ' 34' ' ' LEU . 16.3 m -53.04 -36.01 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 65.140000000000001 111.137 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 -66.47 -38.73 87.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 72.540000000000006 110.87 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -66.25 -49.02 68.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 70.150000000000006 110.893 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.429 ' HE3' ' CE1' ' A' ' 40' ' ' PHE . 39.5 ttm -64.82 -42.26 95.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 73.239999999999995 110.874 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.693 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -68.64 -45.2 72.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 75.439999999999998 111.099 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.53 -42.14 95.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 75.540000000000006 110.863 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.98 99.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 40.119999999999997 111.097 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.652 HD22 ' HG3' ' A' ' 62' ' ' MET . 1.9 mt -71.33 -44.38 65.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 65.319999999999993 110.932 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -61.91 -32.94 73.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 70.129999999999995 110.91 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.4 ' N ' ' HG3' ' A' ' 86' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 60.130000000000003 111.078 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.824 0.345 . . . . 62.200000000000003 111.106 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -61.27 -46.76 89.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 72.049999999999997 110.944 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -71.16 -32.93 69.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 63.119999999999997 110.895 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.753 HD11 ' CB ' ' A' ' 61' ' ' ALA . 5.8 tt -58.24 -52.6 64.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 73.230000000000004 110.923 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.641 HG21 ' HA ' ' A' ' 82' ' ' ALA . 2.3 t -65.76 -53.0 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 62.310000000000002 111.115 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.728 ' HG2' HD12 ' A' ' 34' ' ' LEU . 52.6 mtp180 -54.6 -38.93 67.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 73.530000000000001 110.852 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -66.2 -51.85 53.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 73.019999999999996 110.853 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.637 HD12 ' HB2' ' A' ' 58' ' ' ALA . 59.8 mt -61.05 -39.84 91.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 62.25 110.952 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 19' ' ' VAL . 85.3 t -70.63 -48.74 56.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 73.340000000000003 111.153 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.488 ' HB1' HD12 ' A' ' 29' ' ' LEU . . . -59.21 -47.39 85.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 62.329999999999998 111.131 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -64.98 -28.14 69.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 75.409999999999997 110.896 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.47 ' HB2' ' HE1' ' A' ' 46' ' ' MET . 0.4 OUTLIER -78.74 -25.42 44.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 74.140000000000001 110.825 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.37 9.93 24.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 74.530000000000001 111.099 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 63.81 42.2 6.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 74.239999999999995 110.84 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.525 HD11 HD23 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -147.6 158.31 43.35 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.572 0.701 . . . . 63.420000000000002 110.942 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.471 ' O ' HG12 ' A' ' 33' ' ' VAL . 53.4 Cg_endo -69.66 146.04 59.55 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.7 2.266 . . . . 64.310000000000002 112.349 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 31' ' ' VAL . 11.1 p -69.83 -11.99 15.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 64.25 111.136 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.89 -21.24 40.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 72.310000000000002 110.918 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.471 HG12 ' O ' ' A' ' 30' ' ' PRO . 2.5 p -102.58 -1.41 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 74.040000000000006 111.169 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.048 HD11 HG11 ' A' ' 78' ' ' VAL . 1.3 tm? -68.9 117.56 10.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 63.240000000000002 110.866 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.416 ' O ' HD13 ' A' ' 34' ' ' LEU . 4.3 mtt180 -87.71 154.15 20.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 73.239999999999995 110.849 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.424 ' HA ' ' CG2' ' A' ' 78' ' ' VAL . 55.6 m-20 -75.35 -15.07 60.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 62.240000000000002 110.87 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -98.82 17.83 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 60.409999999999997 110.864 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.415 ' OG ' HG13 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -84.93 118.48 24.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 71.349999999999994 110.876 -179.741 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.808 ' HG2' HG22 ' A' ' 77' ' ' THR . 0.7 OUTLIER -94.93 143.94 26.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 63.340000000000003 110.854 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.666 ' HA ' HD12 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -83.28 55.7 3.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 75.120000000000005 110.895 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.641 HD22 ' O ' ' A' ' 46' ' ' MET . 0.0 OUTLIER 179.74 -41.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 74.430000000000007 110.889 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -78.14 -63.53 1.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 53.5 110.914 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.69 -63.21 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 73.219999999999999 110.815 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 40' ' ' PHE . 19.4 mt -52.66 -24.63 8.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 74.120000000000005 110.869 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 61.63 18.07 9.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 71.310000000000002 110.871 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.641 ' O ' HD22 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -73.92 100.4 3.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.049999999999997 110.837 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.806 ' O ' HG23 ' A' ' 51' ' ' VAL . 15.9 m -53.46 159.66 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 62.340000000000003 110.852 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 p -46.85 -37.13 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 61.130000000000003 110.842 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.506 ' H ' HD12 ' A' ' 49' ' ' ILE . 5.3 mp -74.31 -40.95 50.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.166 -0.47 . . . . 64.530000000000001 111.084 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 100.0 m -64.61 -41.27 96.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 74.329999999999998 111.121 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 47' ' ' SER . 3.8 t -58.3 -49.7 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 73.340000000000003 111.145 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.46 -33.48 71.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 52.130000000000003 112.497 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -58.87 -46.05 88.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 64.319999999999993 110.888 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.92 -33.11 34.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 73.340000000000003 110.924 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 51' ' ' VAL . 17.2 t -59.87 -35.63 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 71.349999999999994 111.101 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -66.64 -33.62 76.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 64.129999999999995 110.907 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.415 ' HB3' HD13 ' A' ' 22' ' ' LEU . 7.5 tp10 -69.67 -36.14 75.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 63.130000000000003 110.828 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.637 ' HB2' HD12 ' A' ' 22' ' ' LEU . . . -69.83 -53.73 16.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 54.509999999999998 111.173 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.756 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -48.87 -44.53 39.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 61.200000000000003 111.141 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -59.39 -41.01 88.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 74.340000000000003 110.895 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.753 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -69.56 -38.64 77.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 74.109999999999999 111.136 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.686 ' HG3' HD22 ' A' ' 85' ' ' LEU . 46.9 mmm -71.47 -22.07 61.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 60.299999999999997 110.83 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.5 -11.77 21.37 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.774 -0.727 . . . . 70.140000000000001 112.515 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.756 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 10.5 mt -61.74 -164.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 75.099999999999994 110.926 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.6 t -168.8 -65.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 73.230000000000004 110.847 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.68 -10.42 40.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 61.439999999999998 111.103 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.464 ' O ' ' C ' ' A' ' 68' ' ' ALA . 19.1 t -64.88 -9.47 7.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 71.430000000000007 111.163 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 67' ' ' VAL . . . -32.14 108.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 53.200000000000003 111.1 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 6.8 mtp 68.13 85.36 0.14 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.562 0.696 . . . . 65.239999999999995 110.852 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 -45.96 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.633 2.222 . . . . 74.120000000000005 112.286 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.2 t -149.38 178.13 9.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.325 -0.398 . . . . 62.5 111.187 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -50.55 141.63 12.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 71.209999999999994 110.903 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.448 ' HA ' ' HB3' ' A' ' 76' ' ' ALA . 19.4 m-85 -120.94 -18.51 7.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 75.409999999999997 110.884 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.569 ' HA ' HD23 ' A' ' 41' ' ' LEU . . . -56.57 -19.57 16.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 62.109999999999999 111.142 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.9 t -123.79 9.36 8.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 73.409999999999997 111.178 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.448 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -106.73 153.51 22.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 74.239999999999995 111.145 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.808 HG22 ' HG2' ' A' ' 39' ' ' ARG . 20.7 p -104.31 170.93 7.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 24.030000000000001 111.104 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.048 HG11 HD11 ' A' ' 34' ' ' LEU . 32.8 m -51.84 -36.87 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 74.239999999999995 111.135 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -65.56 -39.87 92.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 64.439999999999998 110.892 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -64.63 -49.44 71.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 71.049999999999997 110.888 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 73' ' ' PHE . 36.1 ttm -62.66 -38.18 89.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 62.009999999999998 110.899 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.641 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -71.03 -50.14 37.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 74.049999999999997 111.098 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.32 -36.22 73.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 74.150000000000006 110.934 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.2 -37.9 78.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 72.120000000000005 111.093 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.686 HD22 ' HG3' ' A' ' 62' ' ' MET . 2.1 mt -72.9 -46.22 53.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 72.400000000000006 110.914 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -62.36 -33.58 75.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 71.030000000000001 110.86 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 73.409999999999997 111.09 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.575 ' HB3' ' HG2' ' A' ' 86' ' ' GLU . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.848 0.356 . . . . 73.040000000000006 111.132 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.528 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -66.0 -48.14 72.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 73.109999999999999 110.948 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.53 -33.09 66.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 75.219999999999999 110.945 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.763 HD11 ' HB3' ' A' ' 61' ' ' ALA . 5.1 tt -58.13 -52.36 65.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 70.230000000000004 110.93 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.674 HG21 ' HA ' ' A' ' 82' ' ' ALA . 2.1 t -60.53 -55.08 26.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 71.340000000000003 111.132 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.7 mtp-105 -57.62 -38.65 75.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 72.510000000000005 110.878 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.465 ' CE1' HG21 ' A' ' 31' ' ' VAL . 31.9 t60 -62.5 -58.86 6.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 71.519999999999996 110.842 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mt -56.21 -45.57 79.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 62.149999999999999 110.85 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 19' ' ' VAL . 86.9 t -61.72 -43.55 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 73.549999999999997 111.136 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.407 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -60.94 -47.84 84.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 74.040000000000006 111.044 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -60.46 -25.97 66.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 73.200000000000003 110.915 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -76.0 -22.07 56.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 73.230000000000004 110.92 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.18 7.91 45.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 71.109999999999999 111.113 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 61.84 65.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 75.299999999999997 110.839 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.838 HD22 HG21 ' A' ' 33' ' ' VAL . 33.6 mt -143.62 159.62 53.69 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.629 0.728 . . . . 71.310000000000002 110.92 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.741 ' HG2' HG13 ' A' ' 33' ' ' VAL . 53.5 Cg_endo -69.76 2.74 3.26 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.621 2.214 . . . . 74.510000000000005 112.3 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.547 ' HB ' ' O ' ' A' ' 30' ' ' PRO . 58.5 t 76.53 -42.31 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 75.230000000000004 111.133 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -18.13 30.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 53.119999999999997 110.922 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.838 HG21 HD22 ' A' ' 29' ' ' LEU . 6.4 m -91.35 -5.78 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 71.340000000000003 111.114 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.558 HD11 HG11 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -68.33 120.33 14.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 71.439999999999998 110.943 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -91.95 158.09 16.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 75.409999999999997 110.927 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.81 -24.88 59.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 64.319999999999993 110.897 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -104.61 18.53 22.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 75.299999999999997 110.897 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.751 ' O ' HG13 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -73.95 110.43 8.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 73.340000000000003 110.929 -179.811 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.18 159.68 30.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 74.019999999999996 110.904 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.69 ' HA ' HD12 ' A' ' 44' ' ' LEU . 54.4 m-85 -83.75 13.5 4.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 54.140000000000001 110.87 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 40' ' ' PHE . 1.2 mp -150.52 -42.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 54.329999999999998 110.929 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -56.93 -50.79 71.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 64.420000000000002 110.9 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.4 -52.14 2.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 75.439999999999998 110.86 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.69 HD12 ' HA ' ' A' ' 40' ' ' PHE . 55.5 mt -63.51 -24.0 67.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 74.430000000000007 110.986 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 48.88 56.27 7.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 54.210000000000001 110.884 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.3 mmm -114.35 126.6 55.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 74.519999999999996 110.816 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.783 ' O ' HG23 ' A' ' 51' ' ' VAL . 13.3 m -72.67 157.97 36.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 73.140000000000001 110.85 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 p -47.46 -38.12 13.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 74.120000000000005 110.867 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.51 ' H ' HD12 ' A' ' 49' ' ' ILE . 5.3 mp -74.72 -40.35 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 74.140000000000001 111.078 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.4 m -63.05 -38.6 91.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 64.150000000000006 111.077 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 47' ' ' SER . 3.6 t -61.9 -50.15 81.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 71.340000000000003 111.144 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.445 ' O ' HG12 ' A' ' 55' ' ' VAL . . . -58.07 -26.55 58.59 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.811 -0.709 . . . . 74.519999999999996 112.475 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -66.09 -47.26 74.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 64.510000000000005 110.947 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.625 HD11 HG22 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -82.33 -32.02 29.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 53.210000000000001 110.947 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.491 HG11 ' HG2' ' A' ' 69' ' ' MET . 0.3 OUTLIER -58.12 -29.1 36.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 65.25 111.149 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -69.66 -33.98 73.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 73.040000000000006 110.901 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -69.58 -36.56 76.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 72.010000000000005 110.852 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.95 -52.98 57.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 44.140000000000001 111.102 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.762 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -55.38 -41.81 73.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 63.310000000000002 111.035 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -42.48 84.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 61.219999999999999 110.825 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.763 ' HB3' HD11 ' A' ' 18' ' ' LEU . . . -69.1 -40.32 78.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 62.219999999999999 111.107 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.655 ' HG3' HD22 ' A' ' 85' ' ' LEU . 78.6 mmm -71.6 -11.59 60.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 71.219999999999999 110.843 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.78 39.51 7.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 71.310000000000002 112.451 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.762 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 10.3 mt -103.44 -166.95 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 74.439999999999998 110.92 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.0 t -161.96 -76.47 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 75.319999999999993 110.928 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.28 -12.75 59.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 73.340000000000003 111.067 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.555 HG11 HD13 ' A' ' 64' ' ' LEU . 84.1 t -63.3 -14.35 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 71.109999999999999 111.118 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -38.19 110.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 32.409999999999997 111.066 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.491 ' HG2' HG11 ' A' ' 55' ' ' VAL . 0.8 OUTLIER 66.4 80.67 0.22 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.603 0.716 . . . . 73.019999999999996 110.858 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -20.27 34.79 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.657 2.238 . . . . 71.230000000000004 112.381 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.0 t -178.15 167.33 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 74.219999999999999 111.197 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -48.41 143.36 4.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 74.25 110.892 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.5 ' CB ' HG11 ' A' ' 51' ' ' VAL . 51.1 m-85 -123.37 -8.51 8.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 74.299999999999997 110.897 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.416 ' HA ' HD11 ' A' ' 41' ' ' LEU . . . -65.2 -8.15 16.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 74.200000000000003 111.086 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -136.97 9.9 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 64.329999999999998 111.127 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -102.34 -179.31 3.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 70.219999999999999 111.099 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.95 169.3 14.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 63.119999999999997 111.129 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.751 HG13 ' O ' ' A' ' 38' ' ' SER . 22.1 m -52.75 -37.59 25.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 54.450000000000003 111.1 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -66.28 -37.51 85.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 74.530000000000001 110.86 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -65.72 -48.54 71.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 74.540000000000006 110.877 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 23.3 ttm -65.97 -43.39 88.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 74.219999999999999 110.897 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.674 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -67.06 -43.26 83.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 65.040000000000006 111.061 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.87 -40.96 85.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 73.510000000000005 110.83 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.06 -47.16 87.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 72.439999999999998 111.099 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.655 HD22 ' HG3' ' A' ' 62' ' ' MET . 3.6 mt -71.37 -36.46 71.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 74.329999999999998 110.976 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.575 ' HG2' ' HB3' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -64.73 -38.12 89.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 65.030000000000001 110.918 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 60.32 111.123 179.919 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.2 ptp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.781 0.324 . . . . 65.5 110.86 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.42 -33.0 7.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 55.020000000000003 111.086 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.39 166.07 15.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 75.450000000000003 110.863 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.89 -31.66 22.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 74.120000000000005 111.075 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.62 -64.29 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 74.219999999999999 110.877 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.6 t70 61.86 164.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 73.329999999999998 110.89 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -47.06 153.75 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 74.310000000000002 111.125 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 64.55 -167.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 63.340000000000003 111.114 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -65.68 146.22 98.99 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.656 0.741 . . . . 61.409999999999997 110.871 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -49.23 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.602 2.201 . . . . 75.140000000000001 112.374 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -132.51 -84.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 53.140000000000001 111.13 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.455 ' O ' HD13 ' A' ' 9' ' ' LEU . . . -85.76 -54.09 4.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 60.229999999999997 111.063 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.78 -49.14 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 71.219999999999999 111.162 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.29 116.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.728 -0.749 . . . . 62.530000000000001 112.485 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.75 -32.11 18.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.899 0.38 . . . . 22.399999999999999 111.156 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.52 HD22 ' HB1' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -58.54 -42.46 87.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 73.430000000000007 110.895 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -33.27 71.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 64.200000000000003 110.892 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.664 HD11 ' CB ' ' A' ' 61' ' ' ALA . 1.8 tt -60.28 -52.6 64.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 64.519999999999996 110.941 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.708 HG21 ' HA ' ' A' ' 82' ' ' ALA . 2.2 t -63.34 -53.21 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 71.439999999999998 111.099 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -56.24 -39.85 73.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 65.340000000000003 110.895 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -63.54 -55.19 25.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 64.109999999999999 110.805 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.594 HD12 ' HB2' ' A' ' 58' ' ' ALA . 64.0 mt -57.08 -36.74 70.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.302 -0.408 . . . . 75.209999999999994 110.967 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.711 ' CG1' HD13 ' A' ' 44' ' ' LEU . 93.7 t -71.78 -48.07 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 71.549999999999997 111.109 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.411 ' HA ' HD23 ' A' ' 34' ' ' LEU . . . -57.79 -49.68 75.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 74.329999999999998 111.055 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.86 -31.22 72.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 72.430000000000007 110.885 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.515 ' HB2' ' HE1' ' A' ' 46' ' ' MET . 1.3 mmp_? -78.77 -16.59 57.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 73.510000000000005 110.96 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.19 6.13 49.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 73.439999999999998 111.078 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 70.17 35.66 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 74.019999999999996 110.827 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.5 161.7 32.64 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.646 0.736 . . . . 71.439999999999998 110.878 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 162.37 42.3 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.687 2.258 . . . . 63.299999999999997 112.342 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 31' ' ' VAL . 10.0 p -82.11 -14.08 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 70.219999999999999 111.108 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.15 -19.51 43.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 65.409999999999997 110.859 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 p -102.34 -5.08 9.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 72.209999999999994 111.146 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.849 HD11 HG11 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -68.96 118.91 12.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 71.450000000000003 110.866 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -81.02 148.15 29.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 61.240000000000002 110.82 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.52 -22.73 60.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 73.209999999999994 110.843 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -103.18 17.65 23.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 71.239999999999995 110.841 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.5 p -80.3 111.2 16.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 74.329999999999998 110.914 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -68.62 156.83 37.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 71.120000000000005 110.905 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.519 ' HA ' HD12 ' A' ' 44' ' ' LEU . 54.2 m-85 -81.7 24.9 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 71.129999999999995 110.869 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.3 mt -160.05 -42.72 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 73.239999999999995 110.892 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -61.5 -44.07 97.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 71.030000000000001 110.831 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.59 -60.23 1.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 72.420000000000002 110.853 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.711 HD13 ' CG1' ' A' ' 23' ' ' VAL . 16.7 mt -55.21 -25.21 31.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 74.310000000000002 110.931 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.0 m80 50.23 68.22 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 75.310000000000002 110.848 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.601 ' CE ' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -124.1 105.16 9.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 54.439999999999998 110.879 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.807 ' O ' HG23 ' A' ' 51' ' ' VAL . 21.8 m -56.14 158.23 4.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 72.450000000000003 110.878 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.6 p -47.72 -39.43 17.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 62.229999999999997 110.868 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 41.6 mm -73.8 -38.48 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 75.209999999999994 111.162 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.1 m -65.58 -42.2 92.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 75.329999999999998 111.151 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 47' ' ' SER . 3.8 t -58.41 -49.75 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 74.099999999999994 111.13 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.39 -28.29 59.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 53.399999999999999 112.488 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -65.82 -44.99 83.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.813 0.339 . . . . 63.350000000000001 110.897 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.21 -32.76 33.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 71.310000000000002 110.933 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.3 t -59.65 -36.1 63.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 53.130000000000003 111.165 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -67.18 -32.25 73.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 64.400000000000006 110.879 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -69.69 -34.49 74.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 72.450000000000003 110.918 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.594 ' HB2' HD12 ' A' ' 22' ' ' LEU . . . -68.76 -52.06 34.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 74.040000000000006 111.011 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.54 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -51.71 -40.11 59.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 34.450000000000003 111.128 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -44.65 92.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 73.310000000000002 110.848 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.664 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -69.25 -40.81 77.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 32.420000000000002 111.111 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.664 ' SD ' HD13 ' A' ' 18' ' ' LEU . 44.0 mmm -72.34 -8.33 54.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 43.140000000000001 110.881 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.41 ' C ' HD23 ' A' ' 64' ' ' LEU . . . 74.82 46.75 16.47 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.713 -0.756 . . . . 73.129999999999995 112.485 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.582 HD13 HG11 ' A' ' 67' ' ' VAL . 6.3 mt -108.69 -163.9 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.819 0.342 . . . . 54.119999999999997 110.909 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.6 t -158.19 -76.03 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 74.439999999999998 110.826 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.49 -13.09 59.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 42.520000000000003 111.095 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.611 HG13 ' HD3' ' A' ' 88' ' ' ARG . 69.7 t -60.26 -17.44 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 71.400000000000006 111.097 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.51 106.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 61.340000000000003 111.071 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.3 mtp 64.91 84.44 0.18 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.573 0.702 . . . . 75.5 110.848 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 -37.9 8.35 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.65 2.233 . . . . 64.420000000000002 112.4 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.7 t -160.22 177.13 10.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 74.140000000000001 111.12 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -51.52 140.09 18.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 75.519999999999996 110.868 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.496 ' CB ' HG11 ' A' ' 51' ' ' VAL . 30.7 m-85 -118.24 -15.79 9.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 52.439999999999998 110.855 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.51 -18.55 11.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 42.229999999999997 111.134 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.5 t -126.88 11.09 7.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 54.109999999999999 111.102 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.437 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -104.32 170.53 7.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 55.43 111.136 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.9 p -121.69 171.21 9.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 44.439999999999998 111.091 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.849 HG11 HD11 ' A' ' 34' ' ' LEU . 33.2 m -54.72 -37.61 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 71.5 111.059 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -64.25 -39.43 93.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 73.5 110.86 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -68.6 -48.73 63.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 41.039999999999999 110.864 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 35.1 ttm -62.27 -41.9 98.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 72.430000000000007 110.823 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.708 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -68.56 -42.47 78.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 74.540000000000006 111.069 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.63 -44.38 86.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 61.030000000000001 110.886 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.33 94.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 65.140000000000001 111.068 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.538 HD12 ' CG2' ' A' ' 19' ' ' VAL . 14.9 mt -70.1 -44.85 68.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 73.340000000000003 110.892 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -32.08 73.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 74.329999999999998 110.935 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.85 -45.98 76.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 74.099999999999994 111.082 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.611 ' HD3' HG13 ' A' ' 67' ' ' VAL . 0.6 OUTLIER -58.94 -55.91 29.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 75.109999999999999 110.852 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -59.96 -32.99 71.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 72.439999999999998 110.86 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -61.39 -28.57 69.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 73.209999999999994 110.841 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -145.91 57.95 1.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 53.439999999999998 110.88 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 93' ' ' PRO . . . -101.94 160.42 26.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.528 0.68 . . . . 71.120000000000005 111.141 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 92' ' ' ALA . 54.0 Cg_endo -69.77 -174.54 0.93 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.662 2.242 . . . . 70.129999999999995 112.363 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -96.1 44.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 72.010000000000005 110.846 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.9 tt -110.57 155.41 22.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 70.319999999999993 110.898 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -158.12 159.92 36.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 75.209999999999994 110.803 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -167.12 163.15 15.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 74.230000000000004 110.884 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -107.86 -63.35 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 54.539999999999999 110.877 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 60.47 96.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 65.010000000000005 110.919 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -106.52 -171.49 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 74.409999999999997 110.88 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 62.24 94.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 61.149999999999999 110.898 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.9 p-80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 71.310000000000002 110.827 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpp? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.781 0.324 . . . . 74.329999999999998 110.809 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -175.31 163.14 3.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 72.209999999999994 111.089 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.25 179.71 0.78 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.468 . . . . 74.030000000000001 110.854 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.49 -29.51 61.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 52.409999999999997 111.035 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -90.7 7.25 40.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.254 -0.43 . . . . 72.5 110.93 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 49.02 -165.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 70.510000000000005 110.883 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.441 HG21 ' O ' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -52.35 102.35 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 72.540000000000006 111.205 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 62.51 -89.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 55.240000000000002 111.045 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.08 148.04 44.17 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 74.200000000000003 110.975 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -7.41 20.99 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.718 2.279 . . . . 64.230000000000004 112.335 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 64.66 49.09 2.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 75.430000000000007 111.103 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.46 -0.08 48.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 71.209999999999994 111.104 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.3 m -43.46 -56.05 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 71.329999999999998 111.182 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 120.79 -88.61 0.43 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.774 -0.727 . . . . 63.100000000000001 112.549 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.35 -35.18 75.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.361 . . . . 73.439999999999998 111.1 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.552 HD22 ' HB1' ' A' ' 82' ' ' ALA . 1.0 OUTLIER -71.43 -46.13 60.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 75.219999999999999 110.933 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -69.4 -33.49 73.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.349999999999994 110.842 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.696 HD11 ' CB ' ' A' ' 61' ' ' ALA . 4.4 tt -67.17 -52.7 38.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 71.310000000000002 110.904 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.773 HG21 ' HA ' ' A' ' 82' ' ' ALA . 5.9 t -65.19 -45.38 94.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 72.349999999999994 111.098 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.5 -39.86 94.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 74.239999999999995 110.895 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -63.61 -55.71 21.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 73.340000000000003 110.84 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.461 HD13 ' HB3' ' A' ' 57' ' ' GLU . 96.4 mt -57.37 -35.85 70.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 74.409999999999997 110.934 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.614 HG13 HD13 ' A' ' 44' ' ' LEU . 2.1 t -71.89 -48.26 51.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 75.219999999999999 111.164 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.72 -48.24 81.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 70.299999999999997 111.126 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.94 -28.43 69.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 61.340000000000003 110.89 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.53 -24.91 45.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 70.549999999999997 110.869 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.37 14.99 14.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 74.120000000000005 111.127 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 59.96 40.64 18.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 72.310000000000002 110.856 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.1 mt -147.58 159.32 41.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.566 0.698 . . . . 72.409999999999997 110.921 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 157.1 61.35 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.568 2.179 . . . . 74.430000000000007 112.354 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.419 ' O ' HG22 ' A' ' 31' ' ' VAL . 8.8 p -77.34 -14.04 14.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 73.329999999999998 111.125 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.441 ' O ' HG21 ' A' ' 7' ' ' THR . 0.0 OUTLIER -82.45 -20.53 36.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 44.030000000000001 110.881 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.1 p -101.7 -1.93 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.503 . . . . 63.039999999999999 111.064 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.833 HD11 HG11 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -69.31 121.01 16.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 64.140000000000001 110.882 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -79.57 146.67 32.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 75.400000000000006 110.88 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.2 -27.22 61.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 71.129999999999995 110.878 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -101.9 18.27 21.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.443 . . . . 71.140000000000001 110.881 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.26 139.32 44.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 74.209999999999994 110.928 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -94.64 156.37 16.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 70.040000000000006 110.862 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.523 ' HA ' HD12 ' A' ' 44' ' ' LEU . 42.9 m-85 -83.41 23.56 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 70.340000000000003 110.91 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.446 HD12 ' O ' ' A' ' 74' ' ' ALA . 13.9 mt -157.41 -41.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 72.430000000000007 110.924 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -58.28 -52.42 65.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 61.32 110.899 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.79 -55.94 2.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 72.109999999999999 110.864 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.614 HD13 HG13 ' A' ' 23' ' ' VAL . 26.6 mt -57.55 -25.61 60.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 72.450000000000003 110.957 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 41' ' ' LEU . 13.5 t-80 48.37 73.46 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 73.129999999999995 110.84 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -130.27 112.26 13.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 55.100000000000001 110.9 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.752 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.6 m -60.41 160.46 8.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 43.009999999999998 110.859 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -48.53 -38.19 19.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 72.219999999999999 110.876 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.8 mm -74.47 -39.54 48.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 74.430000000000007 111.13 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.5 m -63.62 -38.44 91.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 73.239999999999995 111.155 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 47' ' ' SER . 6.1 t -63.27 -49.18 84.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 72.420000000000002 111.101 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.61 -28.45 56.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 54.350000000000001 112.46 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -66.74 -43.84 83.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.345 . . . . 72.329999999999998 110.925 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.07 -33.06 33.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 64.349999999999994 110.879 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.6 t -58.63 -35.42 55.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 75.030000000000001 111.137 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -66.83 -32.88 74.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 74.099999999999994 110.889 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.461 ' HB3' HD13 ' A' ' 22' ' ' LEU . 32.4 tp10 -70.44 -34.01 71.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 74.040000000000006 110.95 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.09 -51.18 49.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 64.400000000000006 111.112 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.796 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -60.31 -36.08 77.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 73.140000000000001 111.106 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -44.83 93.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 72.129999999999995 110.903 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.696 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -69.21 -37.95 78.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 53.149999999999999 111.097 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.424 ' HB2' ' HG ' ' A' ' 64' ' ' LEU . 99.6 mmm -71.84 -22.53 61.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 74.340000000000003 110.925 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.96 17.29 38.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 75.409999999999997 112.433 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.796 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 7.1 mt -75.72 -165.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 73.409999999999997 110.937 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.0 t -159.11 -76.81 0.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.24 -0.436 . . . . 65.200000000000003 110.788 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.04 -12.61 59.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 63.030000000000001 111.092 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.548 HG11 HD13 ' A' ' 64' ' ' LEU . 93.6 t -60.7 -16.61 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.310000000000002 111.136 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.64 106.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 71.150000000000006 111.107 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.0 mtp 64.51 82.99 0.2 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.533 0.682 . . . . 64.549999999999997 110.899 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -24.47 29.49 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.655 2.237 . . . . 63.329999999999998 112.287 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.0 t -175.79 174.98 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 50.25 111.149 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -50.07 140.24 12.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 74.239999999999995 110.947 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.524 ' CB ' HG11 ' A' ' 51' ' ' VAL . 30.1 m-85 -119.09 -19.0 8.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 71.430000000000007 110.83 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.446 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -54.74 -19.09 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 60.329999999999998 111.095 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.4 t -124.34 10.98 8.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 73.319999999999993 111.138 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -105.38 172.67 6.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 50.039999999999999 111.06 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.8 p -120.61 168.43 11.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 64.409999999999997 111.128 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.833 HG11 HD11 ' A' ' 34' ' ' LEU . 6.1 m -54.24 -35.41 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 42.100000000000001 111.127 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.12 -38.88 89.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 72.219999999999999 110.891 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -67.52 -48.56 66.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 73.329999999999998 110.874 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 37.0 ttm -62.7 -43.62 98.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 72.129999999999995 110.89 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.773 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -68.55 -42.86 77.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 73.140000000000001 111.102 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -66.97 -36.5 82.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 60.439999999999998 110.841 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.14 91.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 72.450000000000003 111.015 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.66 HD12 ' CG2' ' A' ' 19' ' ' VAL . 89.6 mt -69.98 -44.54 69.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.413 . . . . 75.230000000000004 110.911 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -32.5 74.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 73.129999999999995 110.93 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.59 -41.57 88.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 71.099999999999994 111.151 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.444 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 0.5 OUTLIER -61.55 -54.26 45.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 64.200000000000003 110.89 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.401 ' CG ' HD21 ' A' ' 64' ' ' LEU . 2.0 mt-10 -63.44 -32.68 74.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.251 -0.431 . . . . 64.040000000000006 110.896 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -61.27 -25.95 67.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 73.349999999999994 110.859 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -162.62 70.19 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 74.530000000000001 110.892 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 93' ' ' PRO . . . -97.17 160.52 28.78 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 53.039999999999999 111.054 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 92' ' ' ALA . 53.9 Cg_endo -69.77 -171.85 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.664 2.243 . . . . 54.109999999999999 112.394 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -97.52 42.09 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.422 . . . . 62.210000000000001 110.895 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.2 178.55 5.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 75.25 110.967 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -154.82 -64.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 60.130000000000003 110.902 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 62.97 96.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 74.129999999999995 110.842 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 55.99 -174.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 75.319999999999993 110.878 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -139.0 115.88 10.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 62.439999999999998 110.843 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.14 150.63 23.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 55.439999999999998 110.854 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -167.7 32.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 75.310000000000002 110.888 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 74.230000000000004 110.862 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.5 mtt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.817 0.342 . . . . 35.530000000000001 110.904 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.49 -70.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 62.399999999999999 111.04 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.79 33.38 2.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 74.200000000000003 110.806 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.15 -26.27 23.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 64.430000000000007 111.084 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.34 -72.11 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 75.209999999999994 110.874 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.6 t70 60.96 167.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 72.209999999999994 110.905 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -45.58 159.14 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 74.299999999999997 111.096 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 64.65 -161.91 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 65.310000000000002 111.053 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.39 151.33 91.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.562 0.696 . . . . 74.340000000000003 110.929 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -34.94 13.57 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.677 2.251 . . . . 64.230000000000004 112.374 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.456 ' HB3' HG22 ' A' ' 13' ' ' THR . . . -175.65 179.0 1.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 74.519999999999996 111.095 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 13' ' ' THR . . . -82.86 0.37 44.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 64.329999999999998 111.093 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.469 HG23 ' HB3' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -31.41 -63.63 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 70.439999999999998 111.117 -179.835 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.404 ' H ' HG23 ' A' ' 13' ' ' THR . . . 110.84 -84.56 0.37 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 64.140000000000001 112.479 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.413 ' HB2' ' HE1' ' A' ' 62' ' ' MET . . . -62.57 -39.64 94.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 44.5 111.084 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.62 -45.44 71.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 60.119999999999997 110.909 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HB3' HG23 ' A' ' 13' ' ' THR . 8.4 pt-20 -70.48 -33.74 71.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 63.219999999999999 110.894 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.773 HD11 ' HB3' ' A' ' 61' ' ' ALA . 8.6 tt -62.96 -52.76 61.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 63.240000000000002 110.953 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.754 HG21 ' HA ' ' A' ' 82' ' ' ALA . 2.3 t -63.09 -50.74 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 73.409999999999997 111.12 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -58.43 -39.4 79.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 74.409999999999997 110.828 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -63.74 -54.68 31.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 71.340000000000003 110.843 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.488 HD13 ' HB3' ' A' ' 57' ' ' GLU . 57.6 mt -56.67 -36.06 69.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 64.010000000000005 110.828 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.567 HG21 ' HE1' ' A' ' 40' ' ' PHE . 1.5 t -72.27 -49.48 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 54.549999999999997 111.046 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.72 -48.16 78.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 74.409999999999997 111.162 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -63.8 -26.34 68.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 73.430000000000007 110.909 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.456 ' HB2' ' HE1' ' A' ' 46' ' ' MET . 1.2 mmp_? -79.19 -29.0 42.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 64.439999999999998 110.895 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.49 10.93 20.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 74.420000000000002 111.104 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 63.23 27.31 15.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 73.099999999999994 110.845 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.8 mt -128.59 157.96 73.41 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.515 0.674 . . . . 73.140000000000001 110.968 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 148.63 65.38 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.657 2.238 . . . . 71.310000000000002 112.318 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.431 ' O ' HG22 ' A' ' 31' ' ' VAL . 8.0 p -70.96 -13.41 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 75.230000000000004 111.125 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.51 -19.92 37.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.299999999999997 110.868 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -103.6 -3.56 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 65.120000000000005 111.155 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.837 HD11 HG11 ' A' ' 78' ' ' VAL . 0.3 OUTLIER -69.41 120.23 14.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 75.530000000000001 110.868 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.98 144.97 32.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 65.409999999999997 110.921 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -72.36 -26.26 61.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.329999999999998 110.92 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -98.95 17.65 19.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 63.219999999999999 110.889 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.64 131.99 39.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 62.450000000000003 110.842 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -86.04 159.03 19.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 75.519999999999996 110.794 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.567 ' HE1' HG21 ' A' ' 23' ' ' VAL . 48.1 m-85 -86.3 23.01 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 70.140000000000001 110.839 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.422 HD21 ' HA ' ' A' ' 47' ' ' SER . 13.0 mt -156.8 -42.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 74.439999999999998 110.884 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -60.01 -52.06 67.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 71.120000000000005 110.881 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.06 -58.1 2.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 43.340000000000003 110.847 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 40' ' ' PHE . 25.4 mt -57.47 -24.56 56.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 44.240000000000002 110.926 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 37.2 t60 48.53 63.95 1.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.530000000000001 110.86 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.456 ' HE1' ' HB2' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -121.67 105.92 10.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 71.299999999999997 110.916 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.805 ' O ' HG23 ' A' ' 51' ' ' VAL . 45.7 m -55.52 161.9 1.82 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 62.32 110.874 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -47.21 -39.32 13.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 34.329999999999998 110.883 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 42.5 mm -74.35 -40.66 49.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 70.409999999999997 111.096 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.8 m -62.76 -38.83 92.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 71.099999999999994 111.111 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 47' ' ' SER . 3.9 t -63.48 -49.34 83.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 63.130000000000003 111.138 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.432 ' O ' HG12 ' A' ' 55' ' ' VAL . . . -58.17 -27.66 60.42 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.765 -0.731 . . . . 43.009999999999998 112.452 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -64.27 -47.73 78.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 54.409999999999997 110.932 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.411 ' C ' HD12 ' A' ' 54' ' ' LEU . 0.8 OUTLIER -82.13 -32.29 30.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 53.119999999999997 110.906 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.517 HG11 ' HG2' ' A' ' 69' ' ' MET . 0.3 OUTLIER -58.96 -28.73 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 73.540000000000006 111.138 179.809 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -69.31 -41.91 76.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 73.010000000000005 110.924 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.488 ' HB3' HD13 ' A' ' 22' ' ' LEU . 3.4 tp10 -62.02 -35.61 79.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 72.049999999999997 110.883 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.603 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -61.24 -51.78 67.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 73.209999999999994 111.174 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.652 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -59.6 -35.36 74.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 33.340000000000003 111.074 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -46.02 90.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 74.140000000000001 110.868 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.773 ' HB3' HD11 ' A' ' 18' ' ' LEU . . . -69.45 -39.44 77.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 64.329999999999998 111.115 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.413 ' HE1' ' HB2' ' A' ' 15' ' ' ALA . 74.6 mmm -70.52 -21.62 62.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 72.420000000000002 110.874 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.64 32.85 12.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.746 . . . . 72.310000000000002 112.518 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.652 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 6.6 mt -91.99 -165.89 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 54.119999999999997 110.902 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.6 t -157.5 -77.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 75.340000000000003 110.812 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.32 -12.93 60.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.530000000000001 111.063 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.622 HG21 HD13 ' A' ' 64' ' ' LEU . 57.7 t -61.62 -16.24 14.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 62.43 111.102 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.8 107.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 74.049999999999997 111.064 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.517 ' HG2' HG11 ' A' ' 55' ' ' VAL . 1.5 mtp 65.22 81.81 0.21 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.59 0.709 . . . . 71.530000000000001 110.861 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -29.72 23.31 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.725 2.283 . . . . 63.409999999999997 112.337 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.7 t -170.7 176.7 4.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 74.340000000000003 111.132 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -50.37 143.03 9.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 70.510000000000005 110.849 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.456 ' CB ' HG11 ' A' ' 51' ' ' VAL . 32.7 m-85 -122.34 -17.58 7.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 75.430000000000007 110.929 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.22 -19.03 7.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 71.400000000000006 111.137 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 t -124.57 10.88 8.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 61.310000000000002 111.121 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.408 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -105.83 169.1 8.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 60.549999999999997 111.092 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 29.1 p -119.28 172.14 7.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 74.549999999999997 111.099 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.837 HG11 HD11 ' A' ' 34' ' ' LEU . 21.3 m -53.9 -36.82 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 64.120000000000005 111.065 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.433 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 0.7 OUTLIER -65.67 -43.26 89.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 75.519999999999996 110.835 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.65 -48.66 78.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.129999999999995 110.86 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 27.5 ttm -64.08 -36.62 84.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 73.349999999999994 110.902 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.754 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -69.17 -51.34 39.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 52.009999999999998 111.029 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 79' ' ' ARG . 24.4 pt-20 -59.84 -35.97 75.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 54.210000000000001 110.921 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.62 85.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 65.200000000000003 111.075 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.47 HD12 ' CG2' ' A' ' 19' ' ' VAL . 40.1 mt -72.35 -44.73 62.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 63.049999999999997 110.89 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -62.17 -36.69 82.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 74.019999999999996 110.911 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.39 -39.96 94.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 31.41 111.062 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.27 -54.92 37.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 72.5 110.791 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -59.92 -32.41 70.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 53.0 110.934 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -60.97 -26.13 67.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 62.539999999999999 110.844 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -139.39 50.92 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 72.420000000000002 110.921 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.575 ' HB1' ' HD2' ' A' ' 93' ' ' PRO . . . -105.23 160.48 25.85 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.568 0.699 . . . . 72.219999999999999 111.057 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' A' ' 92' ' ' ALA . 53.8 Cg_endo -69.77 -173.13 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.246 . . . . 72.109999999999999 112.321 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -103.89 47.61 0.87 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 71.129999999999995 110.84 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.51 -32.08 9.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 71.239999999999995 110.937 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -162.29 145.04 11.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 72.420000000000002 110.901 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -148.75 -53.76 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 62.539999999999999 110.901 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -111.71 130.59 55.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 62.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -173.76 125.59 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 72.400000000000006 110.883 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 27.0 p80 -174.96 143.57 0.72 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.446 . . . . 74.200000000000003 110.812 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -178.1 165.98 1.94 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 63.409999999999997 110.878 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 73.25 110.902 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.8 mtp . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.847 0.356 . . . . 72.409999999999997 110.839 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -176.52 -38.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 72.129999999999995 111.133 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.91 175.59 6.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 62.240000000000002 110.801 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.58 -24.48 45.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 73.010000000000005 111.133 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -52.53 141.71 19.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 75.129999999999995 110.891 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.484 ' CB ' ' HB3' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -88.76 -167.76 1.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 75.019999999999996 110.87 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.402 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -50.35 117.74 2.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 75.329999999999998 111.168 -179.819 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 7' ' ' THR . . . 66.34 -82.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 35.420000000000002 111.111 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mp -87.46 156.01 53.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.597 0.713 . . . . 70.109999999999999 110.907 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 64.7 1.81 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.661 2.241 . . . . 71.239999999999995 112.353 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.484 ' HB3' ' CB ' ' A' ' 6' ' ' ASP . . . -78.39 71.54 4.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 51.439999999999998 111.106 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.85 -1.98 53.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 63.109999999999999 111.105 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 t -49.7 -38.07 31.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 72.310000000000002 111.153 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.17 -67.08 3.34 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.747 -0.74 . . . . 72.340000000000003 112.532 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.417 ' HB3' ' HG2' ' A' ' 86' ' ' GLU . . . -59.68 -51.01 71.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.735 0.302 . . . . 73.040000000000006 111.054 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.647 HD22 ' HB1' ' A' ' 82' ' ' ALA . 1.3 mm? -69.06 -34.38 75.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 73.409999999999997 110.874 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -34.34 73.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 74.310000000000002 110.843 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.726 HD11 ' CB ' ' A' ' 61' ' ' ALA . 3.8 tt -67.32 -52.94 34.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.179 -0.464 . . . . 73.340000000000003 110.88 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.751 HG21 ' HA ' ' A' ' 82' ' ' ALA . 3.8 t -63.4 -49.91 80.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 64.5 111.18 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.615 ' HD2' HD12 ' A' ' 16' ' ' LEU . 34.5 mtp180 -58.88 -39.88 82.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 73.510000000000005 110.925 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -63.99 -51.76 62.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 74.040000000000006 110.796 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.593 HD13 ' HB3' ' A' ' 57' ' ' GLU . 44.4 mt -57.79 -36.17 71.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 62.340000000000003 110.897 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.539 HG22 ' HE1' ' A' ' 46' ' ' MET . 0.9 OUTLIER -72.35 -44.94 62.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 75.230000000000004 111.094 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.418 ' N ' HG12 ' A' ' 23' ' ' VAL . . . -59.82 -48.06 83.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 74.450000000000003 111.099 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -64.65 -28.52 69.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 74.450000000000003 110.909 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.74 -17.7 52.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 73.450000000000003 110.872 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.3 13.64 34.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 62.530000000000001 111.121 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 55.47 46.16 23.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 74.010000000000005 110.838 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.87 HD11 HD23 ' A' ' 34' ' ' LEU . 3.9 pp -147.61 157.14 44.96 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.63 0.728 . . . . 73.230000000000004 110.913 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.537 ' O ' HG12 ' A' ' 33' ' ' VAL . 52.9 Cg_endo -69.77 135.75 31.22 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.643 2.228 . . . . 74.329999999999998 112.367 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.01 -16.7 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 70.140000000000001 111.124 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.9 -19.66 57.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 74.400000000000006 110.947 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' ' 30' ' ' PRO . 1.4 p -104.65 -0.89 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 73.239999999999995 111.071 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.87 HD23 HD11 ' A' ' 29' ' ' LEU . 1.2 tm? -69.17 120.42 14.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 74.319999999999993 110.907 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.493 ' O ' HD13 ' A' ' 34' ' ' LEU . 1.4 mmm180 -80.62 150.32 29.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 73.329999999999998 110.905 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.14 -25.67 60.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 73.439999999999998 110.939 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -99.9 18.25 18.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 73.239999999999995 110.845 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.1 p -72.97 122.47 21.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 54.130000000000003 110.866 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.405 ' HB2' ' H ' ' A' ' 42' ' ' ASP . 5.5 mtp180 -84.62 152.24 23.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 73.329999999999998 110.798 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.499 ' HE1' HG21 ' A' ' 23' ' ' VAL . 24.6 m-85 -79.54 25.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 74.209999999999994 110.867 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.53 HD12 ' O ' ' A' ' 74' ' ' ALA . 12.8 mt -159.3 -43.24 0.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 75.209999999999994 110.889 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.405 ' H ' ' HB2' ' A' ' 39' ' ' ARG . 39.6 t0 -57.04 -56.11 25.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 64.420000000000002 110.831 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.39 -56.18 2.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 73.540000000000006 110.869 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.456 HD13 HG13 ' A' ' 23' ' ' VAL . 27.1 mt -55.89 -25.52 43.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 72.010000000000005 110.92 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.0 t60 48.06 79.39 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 74.420000000000002 110.837 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.539 ' HE1' HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -135.82 109.2 7.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 54.340000000000003 110.839 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.753 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.7 m -57.79 159.84 5.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 75.140000000000001 110.857 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 p -48.23 -37.85 17.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 74.540000000000006 110.772 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.512 ' H ' HD12 ' A' ' 49' ' ' ILE . 5.3 mp -74.5 -40.66 48.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 71.349999999999994 111.156 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.5 m -62.95 -37.62 87.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 53.520000000000003 111.168 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 47' ' ' SER . 6.2 t -64.17 -49.3 81.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 55.310000000000002 111.183 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.68 -28.21 56.34 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.766 -0.731 . . . . 74.109999999999999 112.521 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -67.02 -44.54 80.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 73.140000000000001 110.94 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.94 -32.44 34.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 74.519999999999996 110.997 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.2 t -58.05 -35.05 50.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 75.25 111.141 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -66.75 -31.24 71.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 62.219999999999999 110.874 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.593 ' HB3' HD13 ' A' ' 22' ' ' LEU . 12.6 tp10 -70.58 -34.12 71.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 75.340000000000003 110.85 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.492 ' HB2' HD12 ' A' ' 22' ' ' LEU . . . -67.65 -52.45 37.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 73.420000000000002 111.128 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.734 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -58.18 -38.15 76.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 65.129999999999995 111.125 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -42.22 94.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 72.5 110.819 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.726 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -68.77 -41.45 78.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 73.230000000000004 111.099 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.561 ' SD ' HD13 ' A' ' 18' ' ' LEU . 10.9 mmm -71.24 -21.52 62.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 60.240000000000002 110.894 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.98 2.37 56.04 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.757 -0.735 . . . . 70.239999999999995 112.464 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.734 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 18.4 mt -66.49 -163.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 63.32 110.916 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.9 p -167.0 -76.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 53.200000000000003 110.863 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.55 -12.87 61.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 75.219999999999999 111.096 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.591 HG11 HD13 ' A' ' 64' ' ' LEU . 99.6 t -62.37 -15.32 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 70.530000000000001 111.112 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 67' ' ' VAL . . . -37.14 105.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 74.340000000000003 111.116 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.3 mtp 62.31 82.27 0.22 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 72.510000000000005 110.89 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -22.23 32.37 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.617 2.211 . . . . 53.32 112.415 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.0 t -176.49 171.33 2.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 52.130000000000003 111.179 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -48.95 139.51 10.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 73.219999999999999 110.9 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.514 ' CB ' HG11 ' A' ' 51' ' ' VAL . 30.4 m-85 -119.16 -19.93 8.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 65.420000000000002 110.87 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.53 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -54.13 -19.67 5.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 61.149999999999999 111.118 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.7 t -123.38 10.89 9.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 72.439999999999998 111.119 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.43 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -107.17 173.81 6.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 51.219999999999999 111.151 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.0 p -123.71 169.5 11.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 53.030000000000001 111.115 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.695 HG11 HD11 ' A' ' 34' ' ' LEU . 35.5 m -52.44 -37.16 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 55.25 111.148 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.59 -38.74 92.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 74.310000000000002 110.891 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -68.47 -48.34 64.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 60.039999999999999 110.881 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.403 ' HE3' ' CE1' ' A' ' 40' ' ' PHE . 40.3 ttm -62.79 -43.47 98.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 71.140000000000001 110.874 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.751 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -68.92 -43.88 74.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 75.530000000000001 111.063 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.8 -40.83 89.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 71.549999999999997 110.884 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.43 -48.17 82.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 73.129999999999995 111.126 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.527 HD12 ' CG2' ' A' ' 19' ' ' VAL . 44.4 mt -72.16 -31.98 66.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 74.230000000000004 110.947 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.417 ' HG2' ' HB3' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -60.78 -47.08 87.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 63.539999999999999 110.83 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.91 -40.78 81.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 73.140000000000001 111.106 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.475 ' HD3' HG21 ' A' ' 67' ' ' VAL . 13.0 mtp85 -59.95 -54.27 48.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 72.150000000000006 110.826 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -62.93 -32.97 74.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 75.439999999999998 110.855 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -61.17 -28.63 69.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 73.109999999999999 110.855 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.47 35.99 4.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 75.310000000000002 110.877 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.576 ' HB1' ' HD2' ' A' ' 93' ' ' PRO . . . -71.32 160.44 82.52 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.614 0.721 . . . . 74.540000000000006 111.053 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.576 ' HD2' ' HB1' ' A' ' 92' ' ' ALA . 53.4 Cg_endo -69.71 89.85 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.681 2.254 . . . . 63.109999999999999 112.319 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -120.14 177.24 5.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 65.510000000000005 110.906 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.73 -32.16 70.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.224 -0.444 . . . . 65.120000000000005 110.912 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.75 177.28 4.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 73.310000000000002 110.874 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -159.6 -73.02 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 71.420000000000002 110.887 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -76.97 135.84 38.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.439999999999998 110.938 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.52 -42.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 74.430000000000007 110.912 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -169.43 158.37 7.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 71.129999999999995 110.846 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -98.62 -29.7 12.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 72.019999999999996 110.85 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 9.7 t60 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 71.150000000000006 110.83 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.771 0.319 . . . . 64.430000000000007 110.862 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.61 116.2 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 74.230000000000004 111.116 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.494 ' O ' HG23 ' A' ' 7' ' ' THR . 61.8 mtt180 -151.49 163.16 39.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 75.209999999999994 110.896 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.568 ' HB1' ' H ' ' A' ' 11' ' ' ALA . . . -73.91 -40.38 63.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 62.350000000000001 111.148 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -68.11 -14.41 62.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 74.420000000000002 110.919 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -102.5 -50.34 3.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 61.329999999999998 110.834 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 3' ' ' ARG . 21.0 p -51.02 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 53.340000000000003 111.187 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -147.96 -79.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 72.109999999999999 111.091 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.521 ' O ' ' HB1' ' A' ' 4' ' ' ALA . 4.4 mm? -87.67 122.89 70.17 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.602 0.715 . . . . 74.420000000000002 110.938 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 64.76 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.703 2.269 . . . . 73.299999999999997 112.305 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.568 ' H ' ' HB1' ' A' ' 4' ' ' ALA . . . 51.48 66.99 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 72.049999999999997 111.131 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.78 -40.64 20.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 71.349999999999994 111.12 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.53 HG21 ' HB3' ' A' ' 16' ' ' LEU . 5.1 m -58.18 -64.49 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 63.439999999999998 111.158 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 122.76 -111.94 1.85 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.749 -0.738 . . . . 53.140000000000001 112.494 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.84 -43.15 90.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 72.209999999999994 111.127 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.53 ' HB3' HG21 ' A' ' 13' ' ' THR . 0.2 OUTLIER -57.86 -46.97 84.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 71.400000000000006 110.894 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -32.96 68.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 61.409999999999997 110.922 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.699 HD11 ' CB ' ' A' ' 61' ' ' ALA . 1.5 tt -60.26 -53.52 56.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 73.329999999999998 110.975 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.711 HG21 ' HA ' ' A' ' 82' ' ' ALA . 4.4 t -60.91 -53.49 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 53.100000000000001 111.189 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.7 mtp85 -56.83 -38.37 72.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 75.019999999999996 110.871 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -67.47 -54.42 20.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 52.299999999999997 110.81 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.503 HD13 ' HB3' ' A' ' 57' ' ' GLU . 63.3 mt -57.28 -40.49 77.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 63.310000000000002 110.975 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 19' ' ' VAL . 68.7 t -72.02 -48.61 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 62.210000000000001 111.117 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.45 -48.37 74.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 53.539999999999999 111.121 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.45 -25.11 67.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 64.329999999999998 110.857 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.47 -25.44 50.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 74.430000000000007 110.87 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.44 11.12 24.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 52.43 111.085 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.77 39.34 6.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 72.439999999999998 110.89 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.515 HD22 HG21 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -147.27 159.45 42.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.635 0.731 . . . . 74.109999999999999 110.877 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.64 ' O ' HG22 ' A' ' 33' ' ' VAL . 53.2 Cg_endo -69.83 156.26 63.61 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.717 2.278 . . . . 70.230000000000004 112.299 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 31' ' ' VAL . 13.0 p -74.51 -6.27 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 43.219999999999999 111.163 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.26 -24.38 37.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 64.239999999999995 110.885 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 30' ' ' PRO . 24.4 m -92.52 -12.35 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 64.310000000000002 111.146 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.937 HD11 HG11 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -69.83 121.44 17.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 75.219999999999999 110.947 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -99.61 157.14 16.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 62.420000000000002 110.897 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -72.1 -15.36 62.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 74.129999999999995 110.909 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -108.56 17.64 21.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 73.439999999999998 110.891 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.449 ' O ' HG13 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -85.44 94.11 8.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 62.219999999999999 110.901 -179.766 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.449 ' HA ' HG22 ' A' ' 77' ' ' THR . 2.7 mtp180 -50.73 160.39 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 74.400000000000006 110.895 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.668 ' HA ' HD12 ' A' ' 44' ' ' LEU . 65.1 m-85 -83.15 18.42 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 74.030000000000001 110.927 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 40' ' ' PHE . 1.0 OUTLIER -152.7 -32.42 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 74.430000000000007 110.92 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -74.01 -61.88 1.7 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 70.549999999999997 110.867 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.39 0.89 31.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.163 -0.471 . . . . 64.120000000000005 110.853 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 40' ' ' PHE . 96.2 mt -121.2 -24.64 5.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 65.540000000000006 110.9 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 41' ' ' LEU . 7.8 t-80 47.03 50.29 14.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 62.450000000000003 110.853 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.1 mmm -107.7 127.57 53.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 73.349999999999994 110.943 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.796 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.8 m -72.3 154.34 41.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 64.010000000000005 110.841 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 p -47.37 -38.64 13.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 63.32 110.877 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.9 mm -74.17 -42.0 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 53.420000000000002 111.166 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 82.3 m -60.73 -37.04 80.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 45.240000000000002 111.16 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 47' ' ' SER . 4.1 t -61.86 -49.79 82.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 64.430000000000007 111.108 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.457 ' O ' HG12 ' A' ' 55' ' ' VAL . . . -58.55 -26.85 60.3 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.739 -0.744 . . . . 50.350000000000001 112.503 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -65.95 -46.91 76.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 54.130000000000003 110.897 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.449 HD11 HG22 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -82.48 -31.96 29.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 71.540000000000006 110.939 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.557 HG11 ' HG2' ' A' ' 69' ' ' MET . 0.3 OUTLIER -58.06 -28.56 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 74.420000000000002 111.171 179.779 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -69.9 -39.0 76.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 71.219999999999999 110.835 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.503 ' HB3' HD13 ' A' ' 22' ' ' LEU . 11.5 tp10 -61.38 -34.9 76.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 72.209999999999994 110.941 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.433 ' HB2' HD12 ' A' ' 22' ' ' LEU . . . -65.59 -52.62 50.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 53.399999999999999 111.113 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.407 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -52.11 -39.26 59.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 63.020000000000003 111.148 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -44.73 94.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 70.319999999999993 110.889 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.699 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -69.2 -42.49 75.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 44.210000000000001 111.137 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.653 ' SD ' HD13 ' A' ' 18' ' ' LEU . 65.7 mmm -71.61 -9.17 57.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 60.049999999999997 110.953 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.3 50.76 20.26 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 52.439999999999998 112.415 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.593 HD13 HG11 ' A' ' 67' ' ' VAL . 9.0 mt -108.92 -164.44 0.94 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.848 0.356 . . . . 74.109999999999999 110.911 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.0 t -157.73 -75.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 54.210000000000001 110.924 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.39 -13.87 59.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 63.310000000000002 111.081 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.604 HG13 ' HD3' ' A' ' 88' ' ' ARG . 72.0 t -61.57 -16.88 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 74.010000000000005 111.105 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -43.79 106.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 51.32 111.122 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.557 ' HG2' HG11 ' A' ' 55' ' ' VAL . 2.0 mtp 65.85 82.65 0.2 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.601 0.715 . . . . 73.349999999999994 110.856 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -31.65 20.2 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.655 2.237 . . . . 74.430000000000007 112.356 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.8 t -168.68 174.58 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 73.109999999999999 111.135 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -50.02 143.51 7.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 74.519999999999996 110.897 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.508 ' HB3' HG11 ' A' ' 51' ' ' VAL . 40.7 m-85 -122.64 -6.29 8.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 61.240000000000002 110.9 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.451 ' HA ' HD11 ' A' ' 41' ' ' LEU . . . -68.24 -5.92 20.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 73.150000000000006 111.12 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 t -137.97 10.12 2.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 63.43 111.106 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.91 173.83 6.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 63.329999999999998 111.066 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.449 HG22 ' HA ' ' A' ' 39' ' ' ARG . 1.6 p -119.74 168.37 11.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 65.239999999999995 111.215 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.937 HG11 HD11 ' A' ' 34' ' ' LEU . 5.5 m -53.14 -36.09 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 74.400000000000006 111.136 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -67.16 -39.33 86.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 70.219999999999999 110.858 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -64.08 -48.68 75.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 74.530000000000001 110.84 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.409 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 25.0 ttm -63.18 -40.63 98.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 73.439999999999998 110.914 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.711 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -68.98 -49.58 56.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 63.439999999999998 111.065 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -59.37 -36.06 75.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 70.010000000000005 110.873 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.64 -40.57 73.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 71.439999999999998 111.105 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.5 mt -71.07 -45.02 64.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 64.140000000000001 110.893 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -64.13 -33.53 76.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 54.43 110.929 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.76 -47.92 73.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 43.119999999999997 111.092 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.604 ' HD3' HG13 ' A' ' 67' ' ' VAL . 2.5 mtp180 -57.44 -62.08 2.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 75.329999999999998 110.908 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.507 ' HB3' HD21 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -55.28 -33.1 62.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 75.120000000000005 110.865 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -32.27 73.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.219999999999999 110.859 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -95.39 -19.32 20.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 72.219999999999999 110.963 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.615 ' HB1' ' HD2' ' A' ' 93' ' ' PRO . . . -96.26 161.13 28.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.529 0.68 . . . . 72.329999999999998 111.073 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.615 ' HD2' ' HB1' ' A' ' 92' ' ' ALA . 54.0 Cg_endo -69.79 97.0 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.643 2.229 . . . . 54.409999999999997 112.357 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -61.15 170.41 1.67 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 73.340000000000003 110.851 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.57 -173.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 61.219999999999999 110.932 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.25 91.66 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 60.32 110.947 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -174.44 164.27 3.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 74.030000000000001 110.822 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -145.31 130.67 18.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 73.329999999999998 110.819 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -166.54 114.72 0.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 74.25 110.924 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 62.28 171.71 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 62.329999999999998 110.922 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -90.43 176.31 6.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 65.349999999999994 110.879 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.414 . . . . 71.209999999999994 110.855 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.818 0.342 . . . . 74.430000000000007 110.848 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.73 103.79 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 63.25 111.09 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -132.22 171.9 13.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 74.510000000000005 110.875 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.34 -29.07 63.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 75.209999999999994 111.102 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -78.9 144.35 34.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 74.120000000000005 110.86 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.509 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 2.4 p30 -97.12 -168.75 1.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 50.549999999999997 110.819 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.16 124.2 11.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 64.040000000000006 111.188 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 65.62 -84.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 31.129999999999999 111.064 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 mp -86.8 160.81 49.18 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.645 0.736 . . . . 72.209999999999994 110.874 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 168.93 20.13 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.748 2.299 . . . . 62.210000000000001 112.354 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.509 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . . . -118.75 23.57 11.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 73.400000000000006 111.078 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.83 -2.31 54.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 72.239999999999995 111.114 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.618 HG21 ' CB ' ' A' ' 16' ' ' LEU . 4.2 t -50.84 -44.27 59.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 50.219999999999999 111.191 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.408 ' N ' HG23 ' A' ' 13' ' ' THR . . . 105.42 -80.1 0.29 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.795 -0.717 . . . . 63.420000000000002 112.512 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.48 -52.63 64.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.756 0.312 . . . . 74.120000000000005 111.069 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.618 ' CB ' HG21 ' A' ' 13' ' ' THR . 0.3 OUTLIER -57.36 -40.98 79.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 75.109999999999999 110.936 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -34.15 70.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.155 -0.475 . . . . 60.520000000000003 110.883 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.69 HD11 ' CB ' ' A' ' 61' ' ' ALA . 1.6 tt -60.69 -53.92 51.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 71.349999999999994 110.963 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.74 HG21 ' HA ' ' A' ' 82' ' ' ALA . 5.9 t -65.32 -51.57 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 74.340000000000003 111.158 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.809 ' HG2' HD12 ' A' ' 34' ' ' LEU . 20.7 mtp180 -55.49 -38.35 69.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 73.010000000000005 110.896 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -65.89 -59.46 3.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 74.329999999999998 110.895 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.1 mt -57.04 -36.54 70.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 64.310000000000002 110.861 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.677 HG13 HD13 ' A' ' 44' ' ' LEU . 1.5 t -71.46 -48.92 50.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 74.409999999999997 111.134 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.524 ' HB1' HD12 ' A' ' 29' ' ' LEU . . . -60.8 -46.67 89.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 54.140000000000001 111.132 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.19 -25.62 68.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 71.129999999999995 110.876 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -78.47 -28.6 46.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 73.549999999999997 110.791 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.435 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -88.33 9.08 24.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 72.409999999999997 111.029 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 64.26 44.84 4.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 63.229999999999997 110.87 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.524 HD12 ' HB1' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -147.91 159.72 39.69 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.6 0.714 . . . . 74.420000000000002 110.901 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.502 ' O ' HG12 ' A' ' 33' ' ' VAL . 54.5 Cg_endo -69.69 143.59 51.66 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.69 2.26 . . . . 75.319999999999993 112.381 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 31' ' ' VAL . 11.4 p -68.64 -11.86 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 72.319999999999993 111.141 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.5 -21.02 38.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.200000000000003 110.91 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.502 HG12 ' O ' ' A' ' 30' ' ' PRO . 2.3 p -101.12 -3.19 9.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 74.140000000000001 111.114 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.998 HD11 HG11 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -68.96 118.15 11.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 55.210000000000001 110.933 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.6 mtp85 -91.11 157.11 17.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 75.319999999999993 110.91 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -75.47 -14.63 60.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 73.409999999999997 110.892 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -97.53 -6.81 32.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 64.5 110.819 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.65 ' O ' HG13 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -62.74 107.82 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 64.209999999999994 110.841 -179.768 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.451 ' HG2' HG22 ' A' ' 77' ' ' THR . 4.8 mtp180 -73.74 162.05 29.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 61.32 110.856 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.596 ' HE1' HG21 ' A' ' 23' ' ' VAL . 39.8 m-85 -84.54 24.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 71.040000000000006 110.875 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' 74' ' ' ALA . 12.6 mt -157.78 -39.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 72.319999999999993 110.942 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.408 ' H ' ' HB2' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -62.23 -57.48 11.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 74.420000000000002 110.906 179.805 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.99 -56.95 2.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 60.119999999999997 110.878 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.677 HD13 HG13 ' A' ' 23' ' ' VAL . 22.1 mt -58.69 -27.31 64.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 74.040000000000006 110.895 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 41' ' ' LEU . 5.7 t-160 49.52 74.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 74.219999999999999 110.895 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.515 ' HB2' HG22 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -131.46 113.45 13.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 52.130000000000003 110.895 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.757 ' O ' HG23 ' A' ' 51' ' ' VAL . 21.1 m -58.74 160.15 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 74.329999999999998 110.853 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 p -47.9 -39.45 18.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 73.099999999999994 110.834 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 41.7 mm -74.83 -37.83 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 71.420000000000002 111.148 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.3 m -64.9 -38.49 91.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 71.109999999999999 111.14 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 47' ' ' SER . 6.5 t -63.59 -47.76 89.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 62.140000000000001 111.152 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.461 ' O ' HG12 ' A' ' 55' ' ' VAL . . . -59.34 -27.88 63.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 62.509999999999998 112.482 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -47.48 81.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 75.340000000000003 110.916 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.412 ' C ' HD12 ' A' ' 54' ' ' LEU . 0.8 OUTLIER -81.98 -32.33 30.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 75.109999999999999 110.916 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.501 HG11 ' HG2' ' A' ' 69' ' ' MET . 0.3 OUTLIER -58.55 -28.79 37.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 52.140000000000001 111.173 179.755 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.8 -40.42 75.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 74.510000000000005 110.886 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -61.63 -36.0 79.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 72.340000000000003 110.815 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.73 -51.4 62.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 65.150000000000006 111.119 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.437 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -54.4 -38.37 66.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 55.5 111.151 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -59.64 -44.19 93.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 74.310000000000002 110.87 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.69 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -69.05 -41.56 77.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 71.200000000000003 111.063 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.631 ' SD ' HD13 ' A' ' 18' ' ' LEU . 68.8 mmm -72.05 -8.12 52.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 74.310000000000002 110.909 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.52 48.32 30.22 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.785 -0.721 . . . . 74.409999999999997 112.521 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.608 HD13 HG11 ' A' ' 67' ' ' VAL . 8.4 mt -107.02 -164.29 0.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 70.319999999999993 110.927 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.2 t -158.91 -75.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 65.430000000000007 110.885 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.97 -13.09 60.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 72.310000000000002 111.089 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.608 HG11 HD13 ' A' ' 64' ' ' LEU . 96.7 t -60.69 -17.16 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.416 . . . . 61.240000000000002 111.081 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.14 106.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 62.149999999999999 111.053 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.501 ' HG2' HG11 ' A' ' 55' ' ' VAL . 1.5 mtp 64.79 81.21 0.22 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.57 0.7 . . . . 64.519999999999996 110.845 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 -25.3 29.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.639 2.226 . . . . 71.349999999999994 112.39 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.3 t -175.12 173.38 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 73.219999999999999 111.237 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.541 HD22 HG22 ' A' ' 75' ' ' THR . 4.1 t30 -49.42 141.83 8.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 74.540000000000006 110.855 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.447 ' CB ' HG11 ' A' ' 51' ' ' VAL . 35.8 m-85 -120.83 -19.85 7.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 71.209999999999994 110.845 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.488 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -54.39 -19.56 5.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 70.530000000000001 111.099 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.541 HG22 HD22 ' A' ' 72' ' ' ASN . 8.5 t -122.92 10.63 9.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 74.019999999999996 111.161 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -105.24 176.69 5.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 72.209999999999994 111.115 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.451 HG22 ' HG2' ' A' ' 39' ' ' ARG . 20.9 p -124.84 169.87 11.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 71.430000000000007 111.045 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.998 HG11 HD11 ' A' ' 34' ' ' LEU . 3.5 m -53.57 -36.78 29.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 72.099999999999994 111.087 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -67.09 -38.3 85.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 72.150000000000006 110.862 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -65.11 -48.73 72.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 52.409999999999997 110.885 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 29.0 ttm -65.39 -39.86 92.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 65.340000000000003 110.85 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.74 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -69.34 -49.46 55.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 54.32 111.089 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -59.85 -36.63 77.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.294 -0.412 . . . . 75.25 110.864 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.17 -43.99 85.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 60.420000000000002 111.14 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.47 HD12 ' CG2' ' A' ' 19' ' ' VAL . 65.4 mt -71.8 -42.16 67.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 73.310000000000002 110.901 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.18 -31.1 70.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 54.439999999999998 110.847 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.26 -36.54 84.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 64.25 111.14 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -60.45 -59.88 4.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 75.200000000000003 110.923 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -63.72 -32.93 74.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 72.120000000000005 110.906 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -24.12 66.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 71.439999999999998 110.82 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -100.25 -32.63 10.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 74.450000000000003 110.864 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.575 ' HB1' ' HD2' ' A' ' 93' ' ' PRO . . . -51.63 160.45 1.04 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.541 0.686 . . . . 31.43 111.122 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' A' ' 92' ' ' ALA . 53.8 Cg_endo -69.78 -8.96 24.92 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.631 2.221 . . . . 62.439999999999998 112.317 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 20.2 m80 63.43 105.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 61.539999999999999 110.791 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.2 tp -99.99 -178.39 3.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 71.530000000000001 110.881 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -70.9 133.72 46.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 51.32 110.893 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 54.0 m170 53.97 85.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 73.409999999999997 110.879 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -115.51 -31.16 5.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.417 . . . . 70.209999999999994 110.866 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -102.01 151.74 21.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 65.310000000000002 110.838 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.09 -63.37 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 62.229999999999997 110.826 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -110.73 167.68 10.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 73.530000000000001 110.833 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 20.8 p80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 74.549999999999997 110.862 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.756 0.313 . . . . 71.349999999999994 110.874 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.86 175.88 13.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 63.100000000000001 111.192 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -109.13 25.14 12.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 72.230000000000004 110.905 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.69 -24.88 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 65.120000000000005 111.12 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.2 p30 -88.73 64.0 7.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 72.209999999999994 110.854 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -60.71 -169.22 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 51.149999999999999 110.867 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -69.92 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 73.209999999999994 111.104 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.34 164.98 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 42.350000000000001 111.09 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.793 HD13 HG22 ' A' ' 31' ' ' VAL . 10.7 tp -66.36 123.53 85.71 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.625 0.726 . . . . 63.409999999999997 110.882 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -8.51 23.78 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 72.219999999999999 112.338 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.529 ' HB1' HG22 ' A' ' 13' ' ' THR . . . -71.03 121.25 17.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 62.200000000000003 111.124 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.89 -1.02 50.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 35.439999999999998 111.117 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.529 HG22 ' HB1' ' A' ' 11' ' ' ALA . 1.8 t -47.62 -40.41 19.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 73.239999999999995 111.153 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.17 -71.82 2.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.822 -0.704 . . . . 64.299999999999997 112.46 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.51 -55.16 38.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 72.209999999999994 111.132 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.518 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -59.35 -38.86 81.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 73.400000000000006 110.955 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.607 ' HB2' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -70.21 -32.9 71.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 72.450000000000003 110.918 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.719 HD11 ' CB ' ' A' ' 61' ' ' ALA . 3.4 tt -61.54 -53.41 56.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 70.109999999999999 110.963 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.734 ' CG2' HD12 ' A' ' 85' ' ' LEU . 2.8 t -62.52 -53.59 45.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 74.120000000000005 111.119 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -55.46 -39.36 70.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 73.519999999999996 110.88 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -64.52 -50.6 66.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.133 -0.485 . . . . 72.450000000000003 110.842 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.666 HD12 ' HB2' ' A' ' 58' ' ' ALA . 35.5 mt -57.16 -41.48 79.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 62.399999999999999 110.898 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.573 ' CG1' HD13 ' A' ' 44' ' ' LEU . 76.4 t -67.0 -49.18 76.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 75.109999999999999 111.069 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.79 -48.91 76.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 64.319999999999993 111.113 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -64.73 -28.23 69.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 75.530000000000001 110.857 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -78.95 -16.12 57.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 73.430000000000007 110.808 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.25 9.82 42.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 73.430000000000007 111.153 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 65.49 37.16 6.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 64.099999999999994 110.821 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.608 HD22 HG21 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -147.74 159.86 39.79 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.579 0.704 . . . . 72.120000000000005 110.925 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.573 ' HG2' HG13 ' A' ' 33' ' ' VAL . 53.6 Cg_endo -69.8 157.12 61.39 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.659 2.239 . . . . 73.120000000000005 112.345 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.793 HG22 HD13 ' A' ' 9' ' ' LEU . 14.6 p -74.99 -5.63 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 72.349999999999994 111.175 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.8 -25.55 32.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 72.109999999999999 110.951 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.608 HG21 HD22 ' A' ' 29' ' ' LEU . 21.3 m -92.54 -8.31 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 62.310000000000002 111.074 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.849 HD11 HG11 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -69.78 127.19 32.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 73.450000000000003 110.949 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.6 155.2 18.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 71.420000000000002 110.884 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -73.18 -14.62 61.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 73.420000000000002 110.839 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -100.19 -6.59 25.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 73.400000000000006 110.816 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.46 ' O ' HG13 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -65.49 112.47 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 51.140000000000001 110.943 -179.837 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.487 ' HB2' ' H ' ' A' ' 42' ' ' ASP . 5.0 mtp180 -77.6 157.44 30.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 72.030000000000001 110.919 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.463 ' HA ' HD12 ' A' ' 44' ' ' LEU . 45.4 m-85 -78.85 22.29 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 74.109999999999999 110.922 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.534 HD12 ' O ' ' A' ' 74' ' ' ALA . 13.6 mt -158.84 -40.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 65.519999999999996 110.972 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.487 ' H ' ' HB2' ' A' ' 39' ' ' ARG . 23.1 t70 -57.47 -53.7 55.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 73.200000000000003 110.831 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.62 -51.47 2.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 62.310000000000002 110.82 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.573 HD13 ' CG1' ' A' ' 23' ' ' VAL . 13.8 mt -60.06 -25.06 65.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 73.209999999999994 110.98 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 41' ' ' LEU . 23.7 t-160 47.37 82.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 73.120000000000005 110.902 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.7 mtp -138.12 116.94 12.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 73.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.756 ' O ' HG23 ' A' ' 51' ' ' VAL . 6.6 m -61.38 155.57 21.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 53.219999999999999 110.841 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.74 -37.58 19.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 74.109999999999999 110.877 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.1 mm -73.88 -41.2 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 63.219999999999999 111.188 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.7 m -61.83 -35.05 77.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 71.040000000000006 111.173 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 47' ' ' SER . 4.6 t -65.97 -50.86 66.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 73.200000000000003 111.099 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.45 -28.03 58.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.795 -0.717 . . . . 53.039999999999999 112.445 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -62.72 -46.97 85.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 72.430000000000007 110.947 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.519 HD13 ' HB3' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -82.34 -31.91 29.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 71.329999999999998 110.916 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 51' ' ' VAL . 11.9 t -56.44 -33.94 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 65.200000000000003 111.123 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -67.44 -34.42 77.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 75.340000000000003 110.859 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -71.32 -34.06 70.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 74.329999999999998 110.899 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.666 ' HB2' HD12 ' A' ' 22' ' ' LEU . . . -64.39 -51.18 64.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 61.140000000000001 111.084 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.802 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -61.72 -36.15 80.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.282 -0.417 . . . . 50.350000000000001 111.169 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -43.54 94.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 65.040000000000006 110.829 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.719 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -68.99 -38.99 79.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 43.43 111.089 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.433 ' HB2' ' HG ' ' A' ' 64' ' ' LEU . 93.6 mmm -71.51 -22.74 61.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 72.530000000000001 110.931 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.29 14.41 41.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.747 . . . . 73.340000000000003 112.472 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.802 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 6.1 mt -75.15 -165.61 0.41 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.762 0.315 . . . . 50.130000000000003 110.958 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.3 p -158.32 -77.4 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 64.400000000000006 110.79 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.92 -12.66 60.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 62.229999999999997 111.056 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.573 HG21 HD13 ' A' ' 64' ' ' LEU . 97.8 t -60.49 -17.11 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.28 -0.418 . . . . 75.129999999999995 111.123 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.64 107.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.349999999999994 111.115 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.3 mtp 64.7 82.93 0.2 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.603 0.716 . . . . 65.109999999999999 110.899 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -24.54 29.83 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.734 2.289 . . . . 74.329999999999998 112.322 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.3 t -175.97 173.04 2.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 73.230000000000004 111.145 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -49.66 140.15 11.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 41.329999999999998 110.881 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.478 ' CB ' HG11 ' A' ' 51' ' ' VAL . 36.2 m-85 -118.58 -17.73 9.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 74.140000000000001 110.895 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.534 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -55.05 -18.65 5.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 74.299999999999997 111.092 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 t -124.88 11.19 8.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 72.219999999999999 111.135 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -106.7 171.98 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.305 -0.407 . . . . 32.32 111.037 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 61.5 p -118.43 168.25 10.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 71.400000000000006 111.156 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.849 HG11 HD11 ' A' ' 34' ' ' LEU . 7.6 m -53.84 -35.53 27.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 73.010000000000005 111.145 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -65.85 -39.61 90.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 64.510000000000005 110.874 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -65.15 -47.99 75.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 74.439999999999998 110.916 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.42 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 36.0 ttm -64.75 -41.97 95.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 42.409999999999997 110.927 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.623 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -68.33 -50.67 51.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 51.109999999999999 111.087 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.2 -35.79 78.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 65.209999999999994 110.883 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.54 -46.76 86.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 73.040000000000006 111.082 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.734 HD12 ' CG2' ' A' ' 19' ' ' VAL . 87.4 mt -70.86 -45.4 64.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 63.310000000000002 110.933 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -61.31 -33.92 74.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 73.530000000000001 110.839 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.88 -37.76 86.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 74.450000000000003 111.027 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.9 mtp85 -64.39 -54.54 31.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 74.239999999999995 110.892 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -66.51 -32.62 74.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 73.099999999999994 110.841 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -61.29 -23.15 65.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 65.230000000000004 110.83 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -102.85 -27.8 12.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 71.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.593 ' HB1' ' HD2' ' A' ' 93' ' ' PRO . . . -51.89 160.43 1.14 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.619 0.724 . . . . 64.040000000000006 111.081 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.593 ' HD2' ' HB1' ' A' ' 92' ' ' ALA . 53.8 Cg_endo -69.79 97.92 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.704 2.269 . . . . 71.109999999999999 112.343 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -161.79 168.58 22.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 72.019999999999996 110.853 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.05 111.28 0.81 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 74.219999999999999 110.865 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -141.29 -179.13 5.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 63.240000000000002 110.875 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -86.3 177.69 7.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 52.350000000000001 110.904 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.53 -179.26 4.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 73.230000000000004 110.866 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -111.04 131.52 54.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 72.409999999999997 110.911 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -132.17 144.27 50.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 75.439999999999998 110.859 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 5.5 t60 62.53 101.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 72.349999999999994 110.839 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 15.7 t-160 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 75.319999999999993 110.86 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mtt . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.826 0.346 . . . . 71.140000000000001 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.26 87.47 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 71.129999999999995 111.065 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -87.32 56.27 3.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 74.5 110.884 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.12 -26.4 26.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 72.409999999999997 111.014 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.68 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 61.32 110.909 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.6 t0 51.59 67.01 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 73.0 110.813 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 55.52 -179.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 55.5 111.085 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 50.34 -168.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.166 -0.47 . . . . 60.049999999999997 111.075 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.7 mp -65.99 123.67 85.66 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.654 0.74 . . . . 72.030000000000001 110.864 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -33.94 15.47 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.699 2.266 . . . . 72.230000000000004 112.34 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -148.28 135.54 20.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 61.229999999999997 111.16 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.03 0.34 45.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 73.140000000000001 111.067 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.583 HG21 ' HB2' ' A' ' 16' ' ' LEU . 89.6 m -43.58 -38.5 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.301 -0.409 . . . . 71.450000000000003 111.15 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.38 -78.51 0.84 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.682 -0.771 . . . . 32.030000000000001 112.568 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.05 -39.5 93.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.839 0.352 . . . . 63.109999999999999 111.176 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.583 ' HB2' HG21 ' A' ' 13' ' ' THR . 0.3 OUTLIER -70.11 -44.2 69.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 74.120000000000005 110.923 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 21' ' ' HIS . 8.2 pt-20 -70.8 -33.67 70.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 70.299999999999997 110.854 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.774 HD11 ' CB ' ' A' ' 61' ' ' ALA . 9.9 tt -57.08 -51.75 68.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 74.530000000000001 110.976 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.693 HG21 ' HA ' ' A' ' 82' ' ' ALA . 2.4 t -63.1 -55.33 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 44.219999999999999 111.114 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.487 ' HG2' HD12 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -55.44 -39.02 69.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 75.150000000000006 110.88 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.567 ' CE1' HG21 ' A' ' 31' ' ' VAL . 19.0 t60 -61.91 -58.8 6.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 71.310000000000002 110.84 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.7 mt -55.71 -42.51 75.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 63.32 110.899 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.642 ' CG1' HD13 ' A' ' 44' ' ' LEU . 94.5 t -61.62 -45.0 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 60.229999999999997 111.075 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.418 ' HB1' ' HA ' ' A' ' 31' ' ' VAL . . . -62.9 -48.92 76.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 74.049999999999997 111.108 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -58.59 -26.58 63.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.140000000000001 110.821 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.458 ' HB2' ' HE1' ' A' ' 46' ' ' MET . 1.8 mmp_? -78.63 -18.36 54.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 63.219999999999999 110.946 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.76 5.59 43.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 64.230000000000004 111.158 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 63.56 64.75 0.78 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 74.310000000000002 110.929 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.837 HD22 HG21 ' A' ' 33' ' ' VAL . 34.4 mt -144.54 159.85 49.92 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.543 0.687 . . . . 74.200000000000003 110.924 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.739 ' HG2' HG13 ' A' ' 33' ' ' VAL . 54.1 Cg_endo -69.74 3.25 2.87 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.699 2.266 . . . . 73.140000000000001 112.331 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.567 HG21 ' CE1' ' A' ' 21' ' ' HIS . 58.5 t 76.44 -43.25 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 74.439999999999998 111.091 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -18.8 27.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 71.019999999999996 110.865 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.837 HG21 HD22 ' A' ' 29' ' ' LEU . 5.2 m -91.84 -10.47 9.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 52.43 111.198 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.844 HD11 HG11 ' A' ' 78' ' ' VAL . 0.5 OUTLIER -67.85 121.21 15.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 42.450000000000003 110.913 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.7 156.3 17.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 73.450000000000003 110.864 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -74.88 -15.17 60.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 65.140000000000001 110.893 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -110.54 18.86 19.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 70.219999999999999 110.836 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.506 ' O ' HG13 ' A' ' 78' ' ' VAL . 1.2 m -78.94 109.01 12.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 73.099999999999994 110.852 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.437 ' HE ' HG23 ' A' ' 77' ' ' THR . 3.0 mtp180 -65.77 156.51 32.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 73.530000000000001 110.905 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.66 ' HA ' HD12 ' A' ' 44' ' ' LEU . 55.4 m-85 -82.78 23.7 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 74.310000000000002 110.892 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.465 HD21 ' HA ' ' A' ' 47' ' ' SER . 13.4 mt -156.57 -39.66 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 75.329999999999998 110.858 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -65.89 -57.34 8.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 72.209999999999994 110.834 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.29 -55.69 2.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 51.509999999999998 110.932 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 40' ' ' PHE . 15.2 mt -62.36 -26.63 68.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 71.120000000000005 110.862 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 41' ' ' LEU . 4.1 t60 48.79 67.44 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 71.25 110.876 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.458 ' HE1' ' HB2' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -127.8 106.45 9.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 63.109999999999999 110.935 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.79 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -55.75 162.35 1.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 65.230000000000004 110.85 -179.821 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.3 p -47.68 -32.63 5.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 72.040000000000006 110.879 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 16.3 mm -75.88 -46.17 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.069 -0.514 . . . . 55.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.2 m -60.86 -37.18 81.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 64.420000000000002 111.105 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 47' ' ' SER . 4.8 t -63.86 -50.16 78.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 64.200000000000003 111.073 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.29 -27.72 58.18 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.685 -0.769 . . . . 74.219999999999999 112.495 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -67.25 -45.27 77.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.782 0.325 . . . . 74.340000000000003 110.885 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.412 ' HB2' ' HG3' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -80.98 -32.39 34.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.443 . . . . 73.200000000000003 110.876 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.9 t -58.31 -32.51 45.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 72.049999999999997 111.147 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.56 -33.57 75.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 75.140000000000001 110.871 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -71.18 -35.26 71.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 72.200000000000003 110.86 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.43 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -68.84 -52.56 28.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 50.109999999999999 111.074 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.702 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -54.82 -46.49 74.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 74.209999999999994 111.116 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -36.85 73.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 72.349999999999994 110.872 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.774 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -69.18 -42.89 75.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 51.130000000000003 111.129 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.652 ' HG3' HD22 ' A' ' 85' ' ' LEU . 85.8 mmm -71.26 -12.11 61.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 71.219999999999999 110.846 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.38 12.87 50.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.754 -0.736 . . . . 71.400000000000006 112.577 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.702 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 9.6 mt -78.26 -168.14 1.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 71.230000000000004 110.908 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.4 p -161.69 -74.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 72.329999999999998 110.913 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.85 -11.63 58.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 73.310000000000002 111.168 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.565 HG11 HD13 ' A' ' 64' ' ' LEU . 48.1 t -62.5 -13.62 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 75.340000000000003 111.051 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 67' ' ' VAL . . . -33.47 108.46 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 21.199999999999999 111.097 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.5 mtp 66.85 84.48 0.17 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.48 0.657 . . . . 72.230000000000004 110.851 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -23.58 30.55 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.685 2.257 . . . . 74.230000000000004 112.316 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.2 t -175.8 172.8 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 75.519999999999996 111.162 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.52 HD22 HG22 ' A' ' 75' ' ' THR . 4.7 t30 -49.62 141.0 10.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.428 . . . . 53.039999999999999 110.903 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.552 ' CB ' HG11 ' A' ' 51' ' ' VAL . 32.5 m-85 -120.89 -18.41 7.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 60.140000000000001 110.89 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.455 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -54.45 -20.27 7.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 72.109999999999999 111.105 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.52 HG22 HD22 ' A' ' 72' ' ' ASN . 8.8 t -122.27 10.67 9.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 73.140000000000001 111.148 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -107.24 170.68 7.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 73.420000000000002 111.148 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.437 HG23 ' HE ' ' A' ' 39' ' ' ARG . 13.3 p -120.63 171.65 8.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 71.340000000000003 111.186 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.844 HG11 HD11 ' A' ' 34' ' ' LEU . 16.3 m -53.04 -36.01 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 65.140000000000001 111.137 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 -66.47 -38.73 87.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 72.540000000000006 110.87 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -66.25 -49.02 68.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 70.150000000000006 110.893 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.429 ' HE3' ' CE1' ' A' ' 40' ' ' PHE . 39.5 ttm -64.82 -42.26 95.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 73.239999999999995 110.874 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.693 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -68.64 -45.2 72.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 75.439999999999998 111.099 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.53 -42.14 95.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 75.540000000000006 110.863 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.98 99.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 40.119999999999997 111.097 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.652 HD22 ' HG3' ' A' ' 62' ' ' MET . 1.9 mt -71.33 -44.38 65.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 65.319999999999993 110.932 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -61.91 -32.94 73.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 70.129999999999995 110.91 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.4 ' N ' ' HG3' ' A' ' 86' ' ' GLU . . . -66.64 -37.6 85.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 60.130000000000003 111.078 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.419 ' HG3' ' HA ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -60.41 -56.13 25.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 63.539999999999999 110.892 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.492 ' HG3' ' HE3' ' A' ' 62' ' ' MET . 1.2 mt-10 -67.75 -32.82 73.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 72.109999999999999 110.905 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.1 ttt85 -61.32 -31.72 71.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 74.150000000000006 110.874 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -119.69 29.44 7.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 74.120000000000005 110.877 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 93' ' ' PRO . . . -73.02 160.55 82.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.731 . . . . 40.420000000000002 111.121 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 92' ' ' ALA . 53.6 Cg_endo -69.85 160.8 48.36 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.679 2.253 . . . . 74.430000000000007 112.312 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.2 m80 59.04 72.75 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 62.340000000000003 110.884 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.42 179.58 4.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 64.140000000000001 110.939 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.1 96.98 6.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 63.140000000000001 110.937 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -134.7 -175.68 3.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 75.140000000000001 110.922 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -134.93 89.17 2.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 63.439999999999998 110.856 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -155.34 158.25 38.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.285 -0.416 . . . . 74.109999999999999 110.93 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -99.64 28.17 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 75.219999999999999 110.93 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -120.63 174.09 6.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 73.310000000000002 110.874 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 74.540000000000006 110.878 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 mtt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.806 0.336 . . . . 74.510000000000005 110.849 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -169.06 -169.87 1.04 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 75.329999999999998 111.079 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.07 24.84 1.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 70.25 110.889 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.39 -26.64 22.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 62.109999999999999 111.114 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -103.38 15.01 30.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 70.409999999999997 110.843 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -64.99 91.9 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 71.230000000000004 110.819 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 55.77 178.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 62.0 111.134 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 49.72 -166.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 72.010000000000005 111.123 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 pp -65.5 122.78 82.12 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.641 0.734 . . . . 73.319999999999993 110.885 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -49.05 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.241 . . . . 72.420000000000002 112.348 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 179.93 -162.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 62.240000000000002 111.112 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.54 ' O ' ' C ' ' A' ' 13' ' ' THR . . . -75.48 -0.69 21.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 73.010000000000005 111.13 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.54 ' C ' ' O ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -25.66 -69.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 75.25 111.132 -179.846 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.64 -100.47 2.6 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.709 -0.758 . . . . 75.299999999999997 112.451 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.43 99.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 62.200000000000003 111.106 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -61.27 -46.76 89.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 72.049999999999997 110.944 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -71.16 -32.93 69.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 63.119999999999997 110.895 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.753 HD11 ' CB ' ' A' ' 61' ' ' ALA . 5.8 tt -58.24 -52.6 64.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 73.230000000000004 110.923 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.641 HG21 ' HA ' ' A' ' 82' ' ' ALA . 2.3 t -65.76 -53.0 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 62.310000000000002 111.115 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.728 ' HG2' HD12 ' A' ' 34' ' ' LEU . 52.6 mtp180 -54.6 -38.93 67.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 73.530000000000001 110.852 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -66.2 -51.85 53.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 73.019999999999996 110.853 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.637 HD12 ' HB2' ' A' ' 58' ' ' ALA . 59.8 mt -61.05 -39.84 91.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 62.25 110.952 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 19' ' ' VAL . 85.3 t -70.63 -48.74 56.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 73.340000000000003 111.153 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.488 ' HB1' HD12 ' A' ' 29' ' ' LEU . . . -59.21 -47.39 85.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 62.329999999999998 111.131 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -64.98 -28.14 69.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 75.409999999999997 110.896 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.47 ' HB2' ' HE1' ' A' ' 46' ' ' MET . 0.4 OUTLIER -78.74 -25.42 44.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 74.140000000000001 110.825 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.37 9.93 24.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 74.530000000000001 111.099 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 63.81 42.2 6.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 74.239999999999995 110.84 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.525 HD11 HD23 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -147.6 158.31 43.35 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.572 0.701 . . . . 63.420000000000002 110.942 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.471 ' O ' HG12 ' A' ' 33' ' ' VAL . 53.4 Cg_endo -69.66 146.04 59.55 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.7 2.266 . . . . 64.310000000000002 112.349 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 31' ' ' VAL . 11.1 p -69.83 -11.99 15.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 64.25 111.136 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.89 -21.24 40.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 72.310000000000002 110.918 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.471 HG12 ' O ' ' A' ' 30' ' ' PRO . 2.5 p -102.58 -1.41 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 74.040000000000006 111.169 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.048 HD11 HG11 ' A' ' 78' ' ' VAL . 1.3 tm? -68.9 117.56 10.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 63.240000000000002 110.866 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.416 ' O ' HD13 ' A' ' 34' ' ' LEU . 4.3 mtt180 -87.71 154.15 20.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 73.239999999999995 110.849 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.424 ' HA ' ' CG2' ' A' ' 78' ' ' VAL . 55.6 m-20 -75.35 -15.07 60.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 62.240000000000002 110.87 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -98.82 17.83 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 60.409999999999997 110.864 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.415 ' OG ' HG13 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -84.93 118.48 24.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 71.349999999999994 110.876 -179.741 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.808 ' HG2' HG22 ' A' ' 77' ' ' THR . 0.7 OUTLIER -94.93 143.94 26.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 63.340000000000003 110.854 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.666 ' HA ' HD12 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -83.28 55.7 3.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 75.120000000000005 110.895 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.641 HD22 ' O ' ' A' ' 46' ' ' MET . 0.0 OUTLIER 179.74 -41.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 74.430000000000007 110.889 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -78.14 -63.53 1.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 53.5 110.914 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.69 -63.21 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 73.219999999999999 110.815 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 40' ' ' PHE . 19.4 mt -52.66 -24.63 8.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 74.120000000000005 110.869 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 61.63 18.07 9.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 71.310000000000002 110.871 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.641 ' O ' HD22 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -73.92 100.4 3.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.049999999999997 110.837 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.806 ' O ' HG23 ' A' ' 51' ' ' VAL . 15.9 m -53.46 159.66 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 62.340000000000003 110.852 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 p -46.85 -37.13 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 61.130000000000003 110.842 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.506 ' H ' HD12 ' A' ' 49' ' ' ILE . 5.3 mp -74.31 -40.95 50.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.166 -0.47 . . . . 64.530000000000001 111.084 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 100.0 m -64.61 -41.27 96.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 74.329999999999998 111.121 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 47' ' ' SER . 3.8 t -58.3 -49.7 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 73.340000000000003 111.145 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.46 -33.48 71.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 52.130000000000003 112.497 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -58.87 -46.05 88.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 64.319999999999993 110.888 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.92 -33.11 34.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 73.340000000000003 110.924 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 51' ' ' VAL . 17.2 t -59.87 -35.63 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 71.349999999999994 111.101 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -66.64 -33.62 76.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 64.129999999999995 110.907 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.415 ' HB3' HD13 ' A' ' 22' ' ' LEU . 7.5 tp10 -69.67 -36.14 75.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 63.130000000000003 110.828 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.637 ' HB2' HD12 ' A' ' 22' ' ' LEU . . . -69.83 -53.73 16.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 54.509999999999998 111.173 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.756 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -48.87 -44.53 39.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 61.200000000000003 111.141 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -59.39 -41.01 88.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 74.340000000000003 110.895 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.753 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -69.56 -38.64 77.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 74.109999999999999 111.136 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.686 ' HG3' HD22 ' A' ' 85' ' ' LEU . 46.9 mmm -71.47 -22.07 61.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 60.299999999999997 110.83 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.5 -11.77 21.37 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.774 -0.727 . . . . 70.140000000000001 112.515 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.756 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 10.5 mt -61.74 -164.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 75.099999999999994 110.926 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.6 t -168.8 -65.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 73.230000000000004 110.847 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.68 -10.42 40.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 61.439999999999998 111.103 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.836 HG11 ' HD3' ' A' ' 88' ' ' ARG . 19.1 t -64.88 -9.47 7.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 71.430000000000007 111.163 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 67' ' ' VAL . . . -32.14 108.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 53.200000000000003 111.1 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 6.8 mtp 68.13 85.36 0.14 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.562 0.696 . . . . 65.239999999999995 110.852 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 -45.96 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.633 2.222 . . . . 74.120000000000005 112.286 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.2 t -149.38 178.13 9.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.325 -0.398 . . . . 62.5 111.187 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -50.55 141.63 12.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 71.209999999999994 110.903 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.448 ' HA ' ' HB3' ' A' ' 76' ' ' ALA . 19.4 m-85 -120.94 -18.51 7.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 75.409999999999997 110.884 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.569 ' HA ' HD23 ' A' ' 41' ' ' LEU . . . -56.57 -19.57 16.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 62.109999999999999 111.142 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.9 t -123.79 9.36 8.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 73.409999999999997 111.178 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.448 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -106.73 153.51 22.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 74.239999999999995 111.145 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.808 HG22 ' HG2' ' A' ' 39' ' ' ARG . 20.7 p -104.31 170.93 7.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 24.030000000000001 111.104 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.048 HG11 HD11 ' A' ' 34' ' ' LEU . 32.8 m -51.84 -36.87 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 74.239999999999995 111.135 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -65.56 -39.87 92.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 64.439999999999998 110.892 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -64.63 -49.44 71.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 71.049999999999997 110.888 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 73' ' ' PHE . 36.1 ttm -62.66 -38.18 89.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 62.009999999999998 110.899 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.641 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -71.03 -50.14 37.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 74.049999999999997 111.098 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.32 -36.22 73.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 74.150000000000006 110.934 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.2 -37.9 78.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 72.120000000000005 111.093 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.686 HD22 ' HG3' ' A' ' 62' ' ' MET . 2.1 mt -72.9 -46.22 53.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 72.400000000000006 110.914 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -62.36 -33.58 75.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 71.030000000000001 110.86 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.82 -34.63 78.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 73.409999999999997 111.09 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.836 ' HD3' HG11 ' A' ' 67' ' ' VAL . 1.0 OUTLIER -64.16 -57.72 8.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 63.100000000000001 110.904 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -61.5 -31.98 71.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 75.420000000000002 110.88 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -62.76 -24.99 67.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 74.209999999999994 110.848 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -102.17 -22.94 14.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 65.5 110.925 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 93' ' ' PRO . . . -51.57 160.45 1.02 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.599 0.714 . . . . 41.409999999999997 111.059 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 92' ' ' ALA . 53.6 Cg_endo -69.68 122.05 8.75 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.727 2.285 . . . . 64.450000000000003 112.36 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 25.5 p-80 -147.63 -170.38 3.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 75.230000000000004 110.867 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.9 mt -54.47 165.48 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 72.230000000000004 110.868 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.01 125.83 16.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 44.43 110.928 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -173.35 -58.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 71.209999999999994 110.9 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -145.9 -176.91 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 71.219999999999999 110.871 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 43.0 p-80 -158.55 140.38 13.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 71.030000000000001 110.827 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.22 130.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 64.340000000000003 110.892 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -88.38 -63.76 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 75.439999999999998 110.954 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 2.9 t60 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 63.399999999999999 110.81 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 mmt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.75 0.31 . . . . 71.150000000000006 110.944 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -174.86 -169.18 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 42.399999999999999 111.142 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 62.55 82.16 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 70.010000000000005 110.858 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.93 -20.44 56.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 62.009999999999998 111.099 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -63.79 -16.25 60.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 71.299999999999997 110.894 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -51.76 169.96 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 64.420000000000002 110.89 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 50.7 89.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.415 . . . . 71.209999999999994 111.077 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 65.24 -168.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 61.450000000000003 111.073 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.5 mp -66.13 152.48 93.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 71.530000000000001 110.927 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 142.8 48.79 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.708 2.272 . . . . 72.109999999999999 112.344 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 51.21 72.05 0.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 51.420000000000002 111.084 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.91 -27.11 49.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 75.010000000000005 111.139 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.567 HG21 ' HB2' ' A' ' 16' ' ' LEU . 94.9 m -129.48 -50.21 1.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 70.209999999999994 111.154 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.02 -94.67 0.59 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.724 . . . . 61.210000000000001 112.502 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.575 ' HB3' ' HG2' ' A' ' 86' ' ' GLU . . . -64.94 -32.91 74.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 73.040000000000006 111.132 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.567 ' HB2' HG21 ' A' ' 13' ' ' THR . 0.3 OUTLIER -66.0 -48.14 72.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 73.109999999999999 110.948 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.53 -33.09 66.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 75.219999999999999 110.945 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.763 HD11 ' HB3' ' A' ' 61' ' ' ALA . 5.1 tt -58.13 -52.36 65.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 70.230000000000004 110.93 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.674 HG21 ' HA ' ' A' ' 82' ' ' ALA . 2.1 t -60.53 -55.08 26.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 71.340000000000003 111.132 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.7 mtp-105 -57.62 -38.65 75.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 72.510000000000005 110.878 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.465 ' CE1' HG21 ' A' ' 31' ' ' VAL . 31.9 t60 -62.5 -58.86 6.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 71.519999999999996 110.842 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mt -56.21 -45.57 79.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 62.149999999999999 110.85 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 19' ' ' VAL . 86.9 t -61.72 -43.55 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 73.549999999999997 111.136 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.407 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -60.94 -47.84 84.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 74.040000000000006 111.044 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -60.46 -25.97 66.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 73.200000000000003 110.915 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -76.0 -22.07 56.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 73.230000000000004 110.92 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.18 7.91 45.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 71.109999999999999 111.113 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 61.84 65.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 75.299999999999997 110.839 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.838 HD22 HG21 ' A' ' 33' ' ' VAL . 33.6 mt -143.62 159.62 53.69 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.629 0.728 . . . . 71.310000000000002 110.92 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.741 ' HG2' HG13 ' A' ' 33' ' ' VAL . 53.5 Cg_endo -69.76 2.74 3.26 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.621 2.214 . . . . 74.510000000000005 112.3 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.547 ' HB ' ' O ' ' A' ' 30' ' ' PRO . 58.5 t 76.53 -42.31 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 75.230000000000004 111.133 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -18.13 30.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 53.119999999999997 110.922 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.838 HG21 HD22 ' A' ' 29' ' ' LEU . 6.4 m -91.35 -5.78 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 71.340000000000003 111.114 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.558 HD11 HG11 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -68.33 120.33 14.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 71.439999999999998 110.943 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -91.95 158.09 16.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 75.409999999999997 110.927 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.81 -24.88 59.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 64.319999999999993 110.897 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -104.61 18.53 22.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 75.299999999999997 110.897 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.751 ' O ' HG13 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -73.95 110.43 8.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 73.340000000000003 110.929 -179.811 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.18 159.68 30.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 74.019999999999996 110.904 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.69 ' HA ' HD12 ' A' ' 44' ' ' LEU . 54.4 m-85 -83.75 13.5 4.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 54.140000000000001 110.87 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 40' ' ' PHE . 1.2 mp -150.52 -42.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 54.329999999999998 110.929 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -56.93 -50.79 71.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 64.420000000000002 110.9 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.4 -52.14 2.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 75.439999999999998 110.86 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.69 HD12 ' HA ' ' A' ' 40' ' ' PHE . 55.5 mt -63.51 -24.0 67.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 74.430000000000007 110.986 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 48.88 56.27 7.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 54.210000000000001 110.884 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.3 mmm -114.35 126.6 55.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 74.519999999999996 110.816 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.783 ' O ' HG23 ' A' ' 51' ' ' VAL . 13.3 m -72.67 157.97 36.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 73.140000000000001 110.85 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 p -47.46 -38.12 13.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 74.120000000000005 110.867 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.51 ' H ' HD12 ' A' ' 49' ' ' ILE . 5.3 mp -74.72 -40.35 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 74.140000000000001 111.078 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.4 m -63.05 -38.6 91.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 64.150000000000006 111.077 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 47' ' ' SER . 3.6 t -61.9 -50.15 81.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 71.340000000000003 111.144 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.445 ' O ' HG12 ' A' ' 55' ' ' VAL . . . -58.07 -26.55 58.59 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.811 -0.709 . . . . 74.519999999999996 112.475 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -66.09 -47.26 74.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 64.510000000000005 110.947 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.625 HD11 HG22 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -82.33 -32.02 29.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 53.210000000000001 110.947 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.491 HG11 ' HG2' ' A' ' 69' ' ' MET . 0.3 OUTLIER -58.12 -29.1 36.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 65.25 111.149 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -69.66 -33.98 73.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 73.040000000000006 110.901 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -69.58 -36.56 76.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 72.010000000000005 110.852 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.95 -52.98 57.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 44.140000000000001 111.102 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.762 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -55.38 -41.81 73.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 63.310000000000002 111.035 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -42.48 84.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 61.219999999999999 110.825 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.763 ' HB3' HD11 ' A' ' 18' ' ' LEU . . . -69.1 -40.32 78.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 62.219999999999999 111.107 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.655 ' HG3' HD22 ' A' ' 85' ' ' LEU . 78.6 mmm -71.6 -11.59 60.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 71.219999999999999 110.843 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.78 39.51 7.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 71.310000000000002 112.451 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.762 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 10.3 mt -103.44 -166.95 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 74.439999999999998 110.92 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.0 t -161.96 -76.47 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 75.319999999999993 110.928 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.28 -12.75 59.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 73.340000000000003 111.067 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.555 HG11 HD13 ' A' ' 64' ' ' LEU . 84.1 t -63.3 -14.35 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 71.109999999999999 111.118 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -38.19 110.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 32.409999999999997 111.066 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.491 ' HG2' HG11 ' A' ' 55' ' ' VAL . 0.8 OUTLIER 66.4 80.67 0.22 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.603 0.716 . . . . 73.019999999999996 110.858 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -20.27 34.79 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.657 2.238 . . . . 71.230000000000004 112.381 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.0 t -178.15 167.33 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 74.219999999999999 111.197 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -48.41 143.36 4.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 74.25 110.892 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.5 ' CB ' HG11 ' A' ' 51' ' ' VAL . 51.1 m-85 -123.37 -8.51 8.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 74.299999999999997 110.897 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.416 ' HA ' HD11 ' A' ' 41' ' ' LEU . . . -65.2 -8.15 16.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 74.200000000000003 111.086 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -136.97 9.9 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 64.329999999999998 111.127 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -102.34 -179.31 3.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 70.219999999999999 111.099 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.95 169.3 14.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 63.119999999999997 111.129 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.751 HG13 ' O ' ' A' ' 38' ' ' SER . 22.1 m -52.75 -37.59 25.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 54.450000000000003 111.1 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -66.28 -37.51 85.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 74.530000000000001 110.86 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -65.72 -48.54 71.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 74.540000000000006 110.877 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 23.3 ttm -65.97 -43.39 88.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 74.219999999999999 110.897 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.674 ' HA ' HG21 ' A' ' 19' ' ' VAL . . . -67.06 -43.26 83.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 65.040000000000006 111.061 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.87 -40.96 85.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 73.510000000000005 110.83 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.06 -47.16 87.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 72.439999999999998 111.099 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.655 HD22 ' HG3' ' A' ' 62' ' ' MET . 3.6 mt -71.37 -36.46 71.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 74.329999999999998 110.976 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.575 ' HG2' ' HB3' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -64.73 -38.12 89.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 65.030000000000001 110.918 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.55 -39.76 92.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 60.32 111.123 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.596 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -54.78 -55.7 27.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 74.329999999999998 110.919 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HG3' ' HE3' ' A' ' 62' ' ' MET . 3.5 mt-10 -71.48 -33.04 68.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 55.310000000000002 110.864 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -60.99 -31.21 70.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 64.409999999999997 110.851 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -134.57 51.04 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 65.349999999999994 110.887 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 88' ' ' ARG . . . -101.74 160.27 26.98 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.569 0.7 . . . . 65.409999999999997 111.078 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.591 ' HD2' ' HB1' ' A' ' 92' ' ' ALA . 53.5 Cg_endo -69.78 -29.7 23.38 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.687 2.258 . . . . 75.209999999999994 112.349 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 25.7 p80 -117.2 149.03 41.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 64.219999999999999 110.903 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.96 128.57 53.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 51.0 110.921 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -162.69 128.15 3.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 70.239999999999995 110.841 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -170.53 105.65 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 64.519999999999996 110.884 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -131.03 41.41 3.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 71.400000000000006 110.901 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -82.12 56.56 3.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 72.150000000000006 110.837 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -91.55 120.66 32.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 71.439999999999998 110.815 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 63.6 159.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 63.520000000000003 110.898 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 43.229999999999997 110.834 -179.984 . . . . . . . . 0 0 . 1 stop_ save_