data_2n4k_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 2n4k _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.903 0.382 . . . . 74.32 110.863 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.9 p -50.92 110.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 75.4 111.12 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.12 87.04 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 74.53 110.859 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -75.71 69.78 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 75.04 110.954 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.32 -41.98 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.686 -0.769 . . . . 74.31 112.498 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -87.63 -31.68 19.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 74.14 110.899 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.43 -36.81 81.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 73.41 111.119 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.7 mm -60.11 -34.05 55.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 73.53 111.183 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.02 -20.01 79.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 71.43 112.502 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 64.5 mt -84.16 -27.61 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.796 0.331 . . . . 74.54 111.169 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.2 mt -75.8 -39.39 38.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 71.41 111.158 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.47 -39.79 53.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 72.4 112.515 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -77.06 -39.45 49.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 74.53 110.905 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -54.09 -49.68 68.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 74.5 110.852 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.75 -31.34 66.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 72.3 111.064 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.15 -28.46 64.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 71.34 111.096 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.14 -27.0 62.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 65.34 111.109 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -82.29 -26.52 33.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 72.33 110.881 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.0 mt -75.81 -43.0 48.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.882 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.4 t -70.5 -25.91 63.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 74.23 111.15 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.7 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 70.42 111.184 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.4 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.885 0.374 . . . . 74.23 110.843 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.8 p -50.75 110.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 72.13 111.116 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.15 86.11 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 73.2 110.809 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -75.62 69.68 2.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 74.52 110.964 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -144.12 -43.96 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.774 -0.727 . . . . 73.33 112.501 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -91.23 -26.81 18.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 75.13 110.879 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.7 -28.29 64.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 72.33 111.059 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.1 mm -57.26 -29.1 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 73.21 111.08 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.3 -24.37 71.2 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 72.01 112.468 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.4 mt -76.14 -36.18 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 71.13 111.15 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.6 mt -51.31 -30.04 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 75.43 111.121 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -104.97 -9.96 33.37 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.747 -0.739 . . . . 75.25 112.494 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -110.39 23.08 14.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 74.35 110.845 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -121.62 -34.34 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 71.31 110.866 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.07 -30.79 19.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 74.54 111.136 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.38 -42.35 92.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 75.12 111.076 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.59 -28.02 52.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 55.11 111.129 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -91.73 -34.3 14.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 73.45 110.916 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 mt -60.06 -34.42 73.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 72.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -79.19 -25.71 42.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 75.3 111.135 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.8 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 75.54 111.148 -179.955 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.928 0.394 . . . . 75.14 110.89 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.8 p -50.4 110.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 74.5 111.141 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.61 87.85 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.879 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -75.61 69.88 2.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.928 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -153.57 -39.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 62.02 112.502 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -111.55 26.0 11.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 65.44 110.918 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.52 -25.94 7.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 61.42 111.119 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.9 mp -78.13 -28.65 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 73.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.78 -19.23 63.9 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.743 . . . . 62.34 112.477 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.4 mm -78.96 -25.26 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 75.33 111.083 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.7 mt -52.06 -35.7 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 64.33 111.095 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.76 -33.18 55.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 74.31 112.451 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.7 m120 -90.79 -32.09 16.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 61.03 110.914 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -64.27 -46.57 83.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 64.13 110.93 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.83 -26.15 67.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 73.41 111.081 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.06 -27.8 67.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 75.42 111.075 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.66 -26.61 63.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 72.32 111.077 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -90.56 -27.59 19.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 73.22 110.88 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.3 mt -84.22 -39.08 19.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 74.01 110.915 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.0 t -55.05 -32.85 62.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 72.42 111.151 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.6 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 71.34 111.113 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.879 0.371 . . . . 73.31 110.831 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.4 110.74 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 74.45 111.134 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.61 86.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 64.02 110.859 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -75.59 69.95 2.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 72.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.18 -54.45 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 72.31 112.453 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -87.63 -25.31 23.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 73.13 110.927 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.65 -25.18 63.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 73.23 111.136 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.3 mm -55.92 -27.46 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 75.54 111.152 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.66 -19.78 75.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 73.25 112.479 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.6 mt -88.47 -30.04 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.742 0.306 . . . . 75.14 111.08 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.4 mt -54.7 -31.13 23.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 73.51 111.157 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.08 -19.81 74.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 74.3 112.479 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -91.94 -36.2 13.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.348 . . . . 71.44 110.843 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -53.54 -62.12 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 74.13 110.897 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.96 79.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 44.44 111.144 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.4 -25.74 62.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.44 111.09 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.89 -33.9 71.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 74.0 111.078 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -74.54 -32.95 62.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 73.45 110.909 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.86 -26.55 67.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 75.44 110.934 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.6 p -87.35 -24.98 24.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 73.02 111.135 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 72.22 111.154 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.909 0.385 . . . . 75.04 110.861 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 p -47.91 109.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 71.53 111.127 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -68.53 87.73 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 73.01 110.868 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -77.04 63.09 2.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 75.24 110.912 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.52 -41.6 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 60.41 112.536 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.06 26.19 10.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 74.4 110.907 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.76 -36.55 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 72.5 111.114 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 51.3 mm -58.35 -31.14 42.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 71.32 111.121 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.22 -0.71 90.31 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 55.51 112.511 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.3 mm -102.91 -52.85 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.788 0.328 . . . . 73.43 111.112 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.0 mt -55.26 -30.14 24.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 74.43 111.105 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.09 14.78 62.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.699 -0.762 . . . . 74.24 112.501 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -125.96 -37.53 2.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 73.23 110.878 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -66.93 -26.84 67.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 64.21 110.88 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.11 23.16 14.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 75.14 111.114 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.1 -32.06 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 63.02 111.06 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.04 -25.32 63.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 72.53 111.086 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -86.62 -27.06 24.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 74.35 110.872 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.5 mt -70.78 -62.65 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 75.34 110.951 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.9 t -54.46 -27.18 35.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 74.1 111.12 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 73.25 111.168 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.916 0.389 . . . . 72.43 110.825 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.6 p -49.59 110.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.111 -0.495 . . . . 71.21 111.13 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -71.23 87.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 74.35 110.845 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -76.1 67.92 2.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 73.11 110.895 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -146.57 -41.49 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.723 -0.751 . . . . 72.53 112.497 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -84.57 -26.46 27.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 75.24 110.918 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.64 -27.63 34.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.12 111.054 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.3 mm -52.85 -46.71 52.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 71.44 111.121 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.19 -33.22 37.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 75.51 112.512 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.4 mp -82.75 -37.41 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 73.31 111.123 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 54.6 mt -63.79 -40.5 89.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 73.33 111.154 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.83 -27.14 74.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 31.03 112.462 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -82.43 -45.33 14.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 73.12 110.89 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -57.48 -44.69 85.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 74.14 110.897 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.2 -29.53 61.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 74.24 111.103 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.11 -28.95 65.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 71.44 111.102 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.8 -29.64 41.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 55.54 111.103 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -86.68 -27.42 23.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 71.14 110.903 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mp -65.13 -35.69 81.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 63.42 110.909 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -82.02 -25.05 35.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 74.34 111.131 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.5 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 72.54 111.117 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.6 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.869 0.366 . . . . 75.53 110.866 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.5 p -50.01 110.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 71.54 111.107 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -69.34 86.88 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 70.14 110.87 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -77.32 60.72 2.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 74.31 110.903 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.26 -42.06 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 61.1 112.543 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.34 22.47 12.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 71.53 110.905 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.38 -29.35 5.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 44.23 111.121 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.8 mm -51.32 145.64 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 73.45 111.123 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.61 -42.38 3.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 73.01 112.491 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 53.8 mt -72.42 -23.89 21.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.783 0.325 . . . . 73.35 111.095 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.9 mt -86.34 -41.18 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 74.33 111.133 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.48 -19.63 58.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 72.12 112.477 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -102.31 -32.61 9.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 73.01 110.935 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -57.49 -50.4 73.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 71.33 110.892 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.44 -31.88 71.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 65.24 111.141 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.18 -31.66 69.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 73.23 111.126 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.42 -29.14 65.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 74.13 111.074 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -85.43 -29.12 24.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 72.21 110.844 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.66 -34.29 77.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 74.35 110.851 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.3 t -87.91 -26.33 22.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 74.51 111.164 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 75.32 111.14 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.963 0.411 . . . . 75.04 110.822 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 p -113.66 113.22 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 71.22 111.119 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.1 88.61 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 72.12 110.829 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -79.43 62.19 3.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 72.03 110.889 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -136.53 -42.9 0.1 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 73.24 112.478 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -99.54 27.65 5.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.811 0.339 . . . . 75.21 110.913 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.14 -38.34 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 71.0 111.094 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.8 mm -53.12 -43.18 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 74.02 111.162 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.12 -32.65 57.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.723 . . . . 64.13 112.512 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.4 mp -82.02 -43.79 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 72.14 111.137 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.3 mm -57.89 -29.8 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 75.32 111.105 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.48 -38.5 94.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 73.33 112.499 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -73.09 -27.47 61.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.347 . . . . 73.42 110.841 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -63.99 -58.47 6.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 75.53 110.884 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.04 -29.31 63.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 55.41 111.083 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.61 -25.73 53.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 71.1 111.142 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.77 -29.3 66.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 75.44 111.066 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -76.87 -32.37 57.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 63.2 110.9 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.5 mt -75.88 -42.21 49.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 71.25 110.886 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.1 t -76.56 -25.16 53.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 74.24 111.122 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.9 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 75.43 111.146 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.928 0.394 . . . . 74.21 110.836 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 p -47.76 107.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 72.54 111.13 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.82 93.62 0.08 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 75.33 110.838 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 57.1 m95 -83.25 64.52 7.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 73.51 110.914 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -140.25 -49.01 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.751 . . . . 72.13 112.487 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -101.53 26.12 7.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.779 0.324 . . . . 64.12 110.933 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.87 -28.73 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.03 111.119 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.9 mp -76.94 -25.18 15.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 75.31 111.142 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.52 4.06 86.49 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.75 -0.738 . . . . 74.12 112.504 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 61.4 mt -112.99 -32.24 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 74.44 111.162 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.0 pt -59.38 -30.38 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 74.13 111.144 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.94 -23.49 38.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 53.13 112.484 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -86.35 -39.86 16.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 75.35 110.923 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -53.62 -57.81 9.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 64.3 110.866 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.87 -35.43 81.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 64.4 111.085 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.73 -27.99 20.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 72.02 111.129 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.73 -44.93 84.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 64.2 111.086 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -82.09 -24.83 34.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 64.1 110.897 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.95 -54.0 31.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 71.33 110.873 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.7 t -51.8 -42.49 62.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 72.12 111.111 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 73.43 111.12 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.933 0.397 . . . . 65.02 110.87 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.6 p -46.7 108.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 71.5 111.133 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.72 94.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 62.24 110.873 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 41.5 m95 -86.55 65.49 9.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 74.33 110.901 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.22 -42.84 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.75 -0.738 . . . . 65.34 112.493 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -89.65 -31.11 17.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 73.33 110.916 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.72 -26.86 60.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 71.23 111.091 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 51.4 mm -58.57 -28.27 36.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 75.25 111.126 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.78 19.72 51.27 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 52.33 112.519 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.0 mm -111.8 -28.39 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.344 . . . . 75.14 111.154 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 22.5 pt -62.74 -29.66 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 74.32 111.132 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.74 -32.47 69.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.692 -0.766 . . . . 74.41 112.513 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -80.04 -33.21 39.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 73.15 110.913 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -73.26 -49.28 28.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.906 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.69 -29.55 68.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 73.42 111.154 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.19 -38.8 66.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 74.43 111.119 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.68 -26.29 66.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 72.44 111.092 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -81.63 -27.31 34.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 72.53 110.857 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.2 mt -79.91 -49.96 11.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 75.24 110.905 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.0 t -76.38 -26.34 55.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 62.23 111.114 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.5 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 71.03 111.177 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.91 0.386 . . . . 53.51 110.838 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.0 p -51.16 112.06 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 70.12 111.14 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.37 85.92 1.48 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 75.45 110.861 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 26.9 m95 -75.6 69.43 2.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.212 -0.449 . . . . 75.01 110.962 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.01 -39.24 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 62.23 112.493 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -98.06 -25.33 14.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 74.54 110.873 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.08 -34.81 78.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 75.22 111.083 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.3 mm -53.1 -39.47 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 75.23 111.164 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.94 -22.15 68.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.75 . . . . 73.2 112.521 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.2 mt -80.01 -33.13 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 71.4 111.143 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.3 mm -51.73 -30.2 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 64.2 111.119 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.79 -55.18 11.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.736 . . . . 74.32 112.518 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -51.9 -43.52 63.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.361 . . . . 54.43 110.86 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -59.55 -57.67 11.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 64.22 110.914 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.48 -18.82 60.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 71.42 111.117 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.45 12.13 19.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 72.41 111.124 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -105.21 -15.61 15.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 74.41 111.134 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -113.58 -18.57 11.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 74.04 110.864 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.73 -19.54 59.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 70.51 110.906 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.8 t -116.45 -30.42 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 75.12 111.155 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 65.44 111.097 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.897 0.38 . . . . 73.42 110.833 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -149.68 115.6 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 73.42 111.121 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -69.88 87.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 71.33 110.854 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.1 m95 -74.18 70.93 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 75.2 110.896 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.57 -44.37 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.746 . . . . 74.44 112.5 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -97.01 -26.74 14.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 74.25 110.902 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.29 -24.7 67.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 74.33 111.076 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.9 mp -76.71 -25.17 15.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 74.12 111.157 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.94 -18.82 64.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.736 -0.745 . . . . 74.34 112.517 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 50.7 mm -77.44 -37.48 25.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.829 0.347 . . . . 72.11 111.187 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 45.3 mm -53.5 -32.54 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 75.11 111.163 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.35 -48.14 54.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 75.21 112.492 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -89.36 -27.63 20.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 74.4 110.917 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -62.89 -43.78 97.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 65.03 110.902 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.99 -32.25 39.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 53.35 111.107 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.61 -26.85 62.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.3 111.057 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.47 -26.57 61.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 54.14 111.082 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -91.43 -28.35 17.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 70.34 110.873 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.83 -26.04 67.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 72.33 110.896 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.1 t -116.9 -29.73 5.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 74.1 111.124 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 63.53 111.136 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.875 0.369 . . . . 71.45 110.85 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.0 p -52.42 111.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 64.41 111.128 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.95 -21.76 64.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 75.24 110.878 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 27.0 m95 58.77 60.04 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 75.14 110.914 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.9 -38.35 0.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 74.25 112.497 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -116.76 24.41 11.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.762 0.315 . . . . 75.32 110.89 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.47 -30.8 4.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 74.2 111.135 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.1 mp -60.6 143.91 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 75.41 111.128 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.3 -21.88 22.55 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 75.43 112.528 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.2 mt -96.52 -24.01 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.813 0.34 . . . . 74.4 111.113 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.7 mt -51.68 -38.84 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 64.0 111.102 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.12 -28.58 33.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 74.01 112.483 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -68.13 -29.57 68.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 74.3 110.9 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -60.44 -50.3 74.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 74.14 110.872 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.96 -33.65 70.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 74.42 111.127 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.8 -46.28 74.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 73.31 111.102 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.29 -26.59 63.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 75.01 111.152 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -87.12 -30.68 20.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.23 110.885 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 mt -69.99 -48.8 56.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 72.01 110.927 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.9 t -55.04 -28.9 55.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 72.03 111.102 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.3 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 75.42 111.149 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.862 0.363 . . . . 73.35 110.858 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.7 p -49.1 109.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 72.01 111.148 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.94 -25.38 29.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.82 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.5 m95 59.18 40.4 21.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 65.04 110.91 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -120.83 -32.53 1.08 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 74.22 112.507 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -94.49 18.47 11.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.321 . . . . 71.34 110.868 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.74 -34.31 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 63.32 111.081 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.0 mm -51.17 145.29 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 75.41 111.121 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.75 -38.94 3.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 74.42 112.501 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.6 mt -81.55 -25.51 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.768 0.318 . . . . 74.43 111.104 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 61.1 mt -62.64 -37.33 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 74.02 111.13 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.28 -38.31 18.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.79 -0.719 . . . . 71.2 112.478 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -59.57 -41.56 90.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 73.22 110.926 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -57.38 -46.83 82.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 74.34 110.905 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.64 -26.26 66.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 70.3 111.101 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.99 -29.95 67.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 71.03 111.139 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.41 -26.36 67.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 75.03 111.098 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -77.68 -30.13 51.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 74.52 110.862 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.5 mt -66.26 -30.47 70.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 75.04 110.932 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 t -101.09 -26.28 13.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 72.22 111.125 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.1 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.53 111.121 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.932 0.396 . . . . 71.41 110.867 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.8 p -50.35 110.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 74.43 111.108 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.73 86.36 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 65.12 110.858 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 35.6 m95 -75.52 69.9 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 75.1 110.94 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -147.04 -63.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 70.52 112.498 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -83.18 -25.93 31.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 75.21 110.889 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.83 -33.22 74.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 73.22 111.073 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.2 mm -56.5 -46.15 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 75.3 111.135 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.21 -20.9 61.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.784 -0.722 . . . . 73.5 112.51 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.5 mm -73.82 -30.28 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 74.33 111.175 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 28.0 mm -70.22 -29.03 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 72.45 111.15 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -89.37 -21.82 39.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 53.55 112.503 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -82.12 -47.6 12.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.369 . . . . 74.21 110.871 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -57.83 -43.16 85.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 74.55 110.893 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.02 -25.62 55.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 74.44 111.132 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.1 -26.31 64.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 73.35 111.093 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.67 -27.71 69.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 75.14 111.116 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -91.25 -31.84 15.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 71.43 110.871 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.2 mt -69.04 -49.77 54.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 75.12 110.944 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.2 t -54.93 -30.4 58.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 72.41 111.149 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.4 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 74.33 111.17 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.5 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.924 0.392 . . . . 74.23 110.872 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.56 110.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 74.43 111.101 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -71.11 87.39 0.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 73.32 110.854 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -76.4 66.3 2.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 71.24 110.922 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.78 -43.02 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 74.24 112.533 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -102.37 17.68 22.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 74.41 110.863 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.09 -22.61 8.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 74.43 111.107 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.9 mm -50.9 146.53 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 74.25 111.137 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.7 -46.54 3.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.727 . . . . 73.33 112.5 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.1 mp -68.6 -26.67 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 73.33 111.142 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.0 mp -61.82 -43.98 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 73.04 111.149 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.33 -29.21 66.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 63.12 112.467 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -73.52 -39.3 64.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 64.53 110.9 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -54.23 -49.13 70.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 74.41 110.929 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.19 -29.49 69.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 54.33 111.108 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.14 -32.78 56.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 75.15 111.092 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.5 -26.75 44.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 70.11 111.122 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -90.33 -28.37 18.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 54.15 110.857 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.7 mt -66.7 -28.93 68.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 74.45 110.87 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 35' ' ' THR . 5.0 t -110.38 -29.61 8.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 74.44 111.117 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' THR . 10.1 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 65.21 111.15 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.937 0.398 . . . . 64.45 110.88 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.4 p -54.58 112.34 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 74.35 111.129 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.4 -18.65 63.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.21 110.877 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 21.0 m95 54.77 44.53 28.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 75.33 110.942 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -127.37 -34.21 0.58 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 74.55 112.488 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -106.13 29.34 6.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 71.33 110.903 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.5 -34.64 3.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 72.43 111.061 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.8 mp -75.42 -25.12 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 75.21 111.085 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.83 5.14 85.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 63.41 112.515 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.0 mt -115.62 -33.35 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.327 . . . . 65.13 111.129 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.0 pt -53.11 -28.56 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 74.44 111.12 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.37 -40.2 5.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 74.11 112.487 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -22.64 66.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 73.12 110.86 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -52.72 -30.34 31.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 73.53 110.92 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.74 -19.07 20.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 73.52 111.093 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.71 -33.59 74.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 72.4 111.08 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.3 -29.49 70.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 73.51 111.092 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -91.02 -38.41 12.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.13 110.892 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.0 mt -52.51 -35.48 53.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 73.33 110.879 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.1 t -81.38 -28.74 34.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 72.55 111.139 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.9 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 72.14 111.188 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.882 0.372 . . . . 70.2 110.832 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 p -150.33 120.64 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 70.24 111.09 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.23 -24.27 64.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 75.4 110.844 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 30.1 m95 60.48 50.74 5.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 74.24 110.963 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -140.19 -49.95 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 71.2 112.477 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -84.84 -29.66 25.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.835 0.35 . . . . 72.31 110.917 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.96 -43.06 66.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 62.13 111.073 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.4 mm -55.95 -37.91 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 74.23 111.118 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.39 -24.24 75.01 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.793 -0.717 . . . . 54.33 112.467 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.3 mt -89.43 -42.15 14.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.78 0.324 . . . . 73.14 111.1 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.9 mt -69.14 -48.57 68.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 74.24 111.112 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.33 -22.19 55.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.794 -0.717 . . . . 64.04 112.493 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -88.07 -31.85 19.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 74.14 110.918 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -59.06 -49.92 76.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 53.3 110.924 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.71 -35.4 65.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 54.51 111.065 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.97 -27.19 41.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 72.12 111.136 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.22 -35.03 59.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 72.34 111.08 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -85.74 -26.44 25.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 63.23 110.866 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.61 -42.52 64.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.928 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.0 t -64.91 -33.81 76.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 73.42 111.143 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 73.53 111.139 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.934 0.397 . . . . 61.32 110.883 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.15 110.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 74.32 111.089 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.73 86.14 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.3 110.868 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 29.5 m95 -75.59 69.89 2.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.899 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.53 -39.86 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.686 -0.769 . . . . 73.42 112.456 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -95.0 -27.51 15.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.786 0.327 . . . . 75.02 110.913 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.54 -26.0 63.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 74.3 111.135 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.1 mm -57.42 -31.45 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 75.55 111.143 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.95 17.72 58.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 75.41 112.503 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.1 mt -120.97 -34.05 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.844 0.354 . . . . 74.32 111.152 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.7 pt -54.96 -27.09 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 72.44 111.163 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.54 -27.58 68.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.802 -0.713 . . . . 72.32 112.469 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -91.43 -43.16 9.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.833 0.349 . . . . 72.25 110.88 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -58.87 -54.24 49.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.935 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.25 -27.27 68.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 75.2 111.093 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.13 -39.91 95.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 64.14 111.123 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.12 -33.53 58.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 74.14 111.132 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -74.84 -39.45 61.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.916 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.1 mt -55.85 -27.68 52.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 74.12 110.91 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.2 t -103.56 -27.36 12.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 74.54 111.132 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 75.41 111.174 -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.882 0.372 . . . . 72.22 110.837 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.7 p -147.44 115.72 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 75.32 111.159 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -69.13 86.81 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 71.22 110.862 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 47.6 m95 -74.86 70.1 1.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 74.5 110.92 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -147.35 -46.05 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 73.44 112.48 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -87.15 -24.93 24.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.741 0.305 . . . . 65.33 110.839 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.9 -18.86 62.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 74.15 111.12 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.1 mm -66.52 141.5 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 73.03 111.124 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.16 -17.36 47.64 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.75 . . . . 71.43 112.505 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 78.8 mt -111.16 -28.0 2.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 65.13 111.137 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.6 pt -52.43 -31.09 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 75.21 111.156 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.9 -38.3 16.37 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.761 -0.733 . . . . 73.51 112.52 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -64.75 -36.05 83.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.354 . . . . 72.33 110.88 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -55.61 -52.69 62.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 72.45 110.908 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.55 -35.06 78.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 61.13 111.078 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.79 -34.66 59.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 73.34 111.15 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.17 -33.64 65.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 51.42 111.103 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -84.77 -26.28 27.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 71.11 110.883 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.32 -26.01 65.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 72.32 110.927 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -100.26 -30.41 11.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 63.31 111.165 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.3 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 74.43 111.152 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.805 0.336 . . . . 73.3 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -132.72 97.1 3.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.929 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -65.59 -42.53 91.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 74.45 110.898 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.81 19.85 6.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.802 -0.713 . . . . 52.45 112.512 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -124.72 24.16 7.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 72.22 110.865 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 99.07 26.23 9.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 64.22 112.482 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.9 t -92.45 150.6 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 75.1 111.135 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.9 p -146.79 130.17 16.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 72.24 110.835 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.5 t -173.94 126.78 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 74.33 110.845 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.12 -62.64 0.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 64.35 110.881 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -146.52 -45.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 72.12 110.863 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.9 tttp -55.31 -53.93 49.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 74.3 110.867 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.34 -169.02 41.75 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.733 -0.746 . . . . 75.13 112.497 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.0 m -120.93 164.42 16.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 74.51 110.9 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.1 m -160.54 40.0 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.863 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.9 p -50.92 110.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 75.4 111.12 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.12 87.04 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 74.53 110.859 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -75.71 69.78 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 75.04 110.954 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.32 -41.98 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.686 -0.769 . . . . 74.31 112.498 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -87.63 -31.68 19.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 74.14 110.899 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.43 -36.81 81.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 73.41 111.119 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.7 mm -60.11 -34.05 55.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 73.53 111.183 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.02 -20.01 79.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 71.43 112.502 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 64.5 mt -84.16 -27.61 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.796 0.331 . . . . 74.54 111.169 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.2 mt -75.8 -39.39 38.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 71.41 111.158 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.47 -39.79 53.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 72.4 112.515 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -77.06 -39.45 49.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 74.53 110.905 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -54.09 -49.68 68.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 74.5 110.852 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.75 -31.34 66.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 72.3 111.064 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.15 -28.46 64.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 71.34 111.096 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.14 -27.0 62.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 65.34 111.109 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -82.29 -26.52 33.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 72.33 110.881 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.0 mt -75.81 -43.0 48.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.882 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.4 t -70.5 -25.91 63.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 74.23 111.15 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.7 p 49.88 33.0 5.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 70.42 111.184 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -112.09 47.42 1.04 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.76 . . . . 64.22 112.467 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.52 150.94 11.87 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 73.0 112.492 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -94.45 163.28 13.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.737 0.304 . . . . 75.33 110.932 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -169.12 128.94 1.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 65.03 111.125 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -93.98 43.02 2.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 75.11 112.439 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -58.54 175.74 0.23 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.829 0.347 . . . . 75.42 110.899 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -69.14 -62.78 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 74.01 110.892 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 63.14 112.471 179.898 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.761 0.315 . . . . 74.43 110.87 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -140.54 113.29 8.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.447 . . . . 73.13 110.943 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -75.84 -66.83 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 75.51 110.894 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.1 -42.62 0.31 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 50.0 112.483 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -65.69 -26.56 67.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 74.04 110.842 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 131.02 36.22 0.35 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.699 -0.762 . . . . 70.14 112.486 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.3 t -89.6 137.6 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 60.31 111.122 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -123.8 111.92 16.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 71.24 110.83 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.3 m -136.78 106.99 6.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 63.1 110.875 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -115.46 -74.3 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 74.35 110.877 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -138.11 -41.45 0.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 73.45 110.9 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -56.83 -25.08 55.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 74.41 110.867 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 138.22 -101.06 0.31 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.742 -0.742 . . . . 74.12 112.486 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.22 165.76 35.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 62.22 110.897 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.4 m -160.32 40.47 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 74.23 110.843 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.8 p -50.75 110.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 72.13 111.116 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.15 86.11 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 73.2 110.809 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -75.62 69.68 2.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 74.52 110.964 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -144.12 -43.96 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.774 -0.727 . . . . 73.33 112.501 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -91.23 -26.81 18.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 75.13 110.879 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.7 -28.29 64.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 72.33 111.059 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.1 mm -57.26 -29.1 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 73.21 111.08 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.3 -24.37 71.2 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 72.01 112.468 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.4 mt -76.14 -36.18 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 71.13 111.15 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.6 mt -51.31 -30.04 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 75.43 111.121 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -104.97 -9.96 33.37 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.747 -0.739 . . . . 75.25 112.494 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -110.39 23.08 14.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 74.35 110.845 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -121.62 -34.34 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 71.31 110.866 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.07 -30.79 19.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 74.54 111.136 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.38 -42.35 92.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 75.12 111.076 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.59 -28.02 52.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 55.11 111.129 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -91.73 -34.3 14.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 73.45 110.916 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 mt -60.06 -34.42 73.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 72.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -79.19 -25.71 42.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 75.3 111.135 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.8 m -80.51 -46.68 15.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 75.54 111.148 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.79 91.64 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.709 -0.758 . . . . 64.53 112.468 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.61 126.89 3.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 72.4 112.465 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -69.34 149.8 48.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.789 0.328 . . . . 75.43 110.872 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -143.44 179.99 6.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 74.14 111.151 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -171.82 49.85 0.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.737 . . . . 74.3 112.495 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -145.87 -176.49 5.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.82 0.343 . . . . 72.03 110.923 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -92.63 66.29 4.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 73.13 110.915 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 64.14 112.547 179.909 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.786 0.327 . . . . 75.31 110.926 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -175.63 107.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 73.44 110.862 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -67.63 -63.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 74.4 110.868 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.18 -19.48 3.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.775 -0.726 . . . . 70.31 112.479 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -77.97 -22.43 49.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 64.44 110.84 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.96 -17.07 0.92 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 64.15 112.505 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.9 t -51.65 134.33 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 73.21 111.094 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 t -175.83 165.66 3.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 73.15 110.898 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 97.2 m -126.76 165.9 18.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 72.33 110.886 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -132.0 -68.09 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 71.13 110.899 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -142.02 -71.78 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 73.12 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.14 -62.39 1.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 75.54 110.864 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -154.47 -125.99 1.02 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 72.14 112.475 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.8 m -119.68 -171.65 2.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.796 0.331 . . . . 75.11 110.9 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.59 36.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 75.14 110.89 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.8 p -50.4 110.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 74.5 111.141 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.61 87.85 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.879 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -75.61 69.88 2.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.928 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -153.57 -39.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 62.02 112.502 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -111.55 26.0 11.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 65.44 110.918 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.52 -25.94 7.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 61.42 111.119 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.9 mp -78.13 -28.65 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 73.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.78 -19.23 63.9 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.743 . . . . 62.34 112.477 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.4 mm -78.96 -25.26 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 75.33 111.083 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.7 mt -52.06 -35.7 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 64.33 111.095 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.76 -33.18 55.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 74.31 112.451 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.7 m120 -90.79 -32.09 16.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 61.03 110.914 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -64.27 -46.57 83.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 64.13 110.93 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.83 -26.15 67.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 73.41 111.081 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.06 -27.8 67.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 75.42 111.075 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.66 -26.61 63.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 72.32 111.077 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -90.56 -27.59 19.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 73.22 110.88 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.3 mt -84.22 -39.08 19.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 74.01 110.915 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.0 t -55.05 -32.85 62.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 72.42 111.151 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.6 t -104.48 35.16 2.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 71.34 111.113 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.81 -33.22 5.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 52.54 112.457 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.68 -52.1 0.76 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.785 -0.722 . . . . 71.33 112.477 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.4 mmtt -115.1 166.92 11.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 72.15 110.914 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -107.72 157.69 17.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 74.45 111.149 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.87 84.83 0.37 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.694 -0.765 . . . . 71.3 112.45 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.1 p-90 -170.92 162.4 7.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.815 0.34 . . . . 74.44 110.963 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt -58.85 -60.79 3.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 74.21 110.863 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.722 . . . . 55.12 112.505 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.787 0.327 . . . . 74.23 110.937 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -115.22 114.96 25.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 75.32 110.962 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -91.49 -61.39 1.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 72.32 110.95 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.99 -36.86 0.66 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 53.25 112.438 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -63.79 -27.15 68.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 72.23 110.869 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 131.11 36.01 0.36 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 72.25 112.473 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.4 t -90.35 148.73 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.357 . . . . 74.3 111.155 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 t -147.36 125.97 12.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 75.13 110.845 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 17.5 t -173.42 129.44 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 72.44 110.908 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -138.64 -61.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 74.35 110.842 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -138.48 -51.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 73.51 110.877 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -51.98 -68.06 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 74.45 110.923 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -172.53 -170.47 36.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 72.14 112.509 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.6 m -120.48 158.48 27.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 61.42 110.869 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.54 37.26 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 73.31 110.831 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.4 110.74 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 74.45 111.134 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.61 86.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 64.02 110.859 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -75.59 69.95 2.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 72.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.18 -54.45 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 72.31 112.453 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -87.63 -25.31 23.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 73.13 110.927 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.65 -25.18 63.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 73.23 111.136 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.3 mm -55.92 -27.46 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 75.54 111.152 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.66 -19.78 75.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 73.25 112.479 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.6 mt -88.47 -30.04 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.742 0.306 . . . . 75.14 111.08 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.4 mt -54.7 -31.13 23.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 73.51 111.157 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.08 -19.81 74.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 74.3 112.479 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -91.94 -36.2 13.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.348 . . . . 71.44 110.843 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -53.54 -62.12 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 74.13 110.897 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.96 79.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 44.44 111.144 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.4 -25.74 62.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.44 111.09 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.89 -33.9 71.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 74.0 111.078 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -74.54 -32.95 62.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 73.45 110.909 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.86 -26.55 67.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 75.44 110.934 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.6 p -87.35 -24.98 24.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 73.02 111.135 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.8 m -113.24 65.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 72.22 111.154 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 112.22 88.42 1.77 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 71.34 112.446 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.91 140.56 15.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.718 -0.753 . . . . 73.01 112.465 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.2 153.3 23.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.747 0.308 . . . . 74.4 110.911 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 56.32 34.79 24.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 44.21 111.106 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -95.55 26.89 17.77 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.769 -0.729 . . . . 73.25 112.502 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 19.4 p-90 -121.9 -37.79 2.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.77 0.319 . . . . 74.44 110.907 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.5 ttmt -151.08 -71.38 0.17 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 75.13 110.899 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 65.24 112.519 179.929 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.788 0.328 . . . . 74.32 110.942 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -99.34 130.53 45.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 75.5 110.891 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -102.13 -47.09 4.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 72.4 110.952 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.26 -32.38 0.36 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.799 -0.715 . . . . 72.15 112.495 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -88.16 -67.76 0.81 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.855 0.36 . . . . 73.01 110.913 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 179.49 37.57 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 74.1 112.475 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 19.3 t -82.55 151.7 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 71.53 111.115 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.7 p -179.5 98.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 74.15 110.911 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.32 133.28 52.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.886 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -138.32 -73.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 62.44 110.87 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm -153.68 -56.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 75.42 110.872 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -51.83 -62.89 1.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 74.33 110.86 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.77 169.82 39.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 75.42 112.467 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.6 p -143.9 -175.6 4.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 72.54 110.892 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.12 39.91 0.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 75.04 110.861 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 p -47.91 109.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 71.53 111.127 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -68.53 87.73 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 73.01 110.868 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -77.04 63.09 2.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 75.24 110.912 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.52 -41.6 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 60.41 112.536 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.06 26.19 10.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 74.4 110.907 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.76 -36.55 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 72.5 111.114 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 51.3 mm -58.35 -31.14 42.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 71.32 111.121 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.22 -0.71 90.31 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 55.51 112.511 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.3 mm -102.91 -52.85 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.788 0.328 . . . . 73.43 111.112 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.0 mt -55.26 -30.14 24.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 74.43 111.105 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.09 14.78 62.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.699 -0.762 . . . . 74.24 112.501 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -125.96 -37.53 2.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 73.23 110.878 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -66.93 -26.84 67.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 64.21 110.88 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.11 23.16 14.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 75.14 111.114 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.1 -32.06 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 63.02 111.06 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.04 -25.32 63.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 72.53 111.086 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -86.62 -27.06 24.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 74.35 110.872 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.5 mt -70.78 -62.65 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 75.34 110.951 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.9 t -54.46 -27.18 35.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 74.1 111.12 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 m 57.37 31.0 19.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 73.25 111.168 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -112.26 19.54 22.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 75.04 112.524 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -112.56 95.73 0.8 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.779 -0.725 . . . . 72.22 112.498 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -167.68 108.79 0.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.77 0.319 . . . . 74.12 110.885 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.13 40.11 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 71.23 111.115 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.53 -70.75 2.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 51.1 112.5 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 24.6 p-90 -118.88 38.56 3.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.867 0.365 . . . . 74.44 110.928 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? 56.31 28.54 13.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 75.23 110.896 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 74.1 112.471 179.927 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.788 0.327 . . . . 74.04 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -109.71 90.58 3.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.903 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -61.75 -39.66 92.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 75.21 110.889 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.18 -8.09 28.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 71.25 112.487 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -94.4 20.37 8.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.877 0.37 . . . . 72.34 110.862 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 97.27 29.77 7.74 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 70.11 112.501 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.4 t -106.3 155.54 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.875 0.369 . . . . 73.31 111.107 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -116.47 -77.09 0.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 63.43 110.841 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 17.0 m 50.29 49.7 20.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 75.44 110.874 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -51.37 -58.96 4.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 74.24 110.878 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -151.82 -54.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 72.42 110.886 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -133.9 19.05 3.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 74.24 110.906 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -138.39 107.11 0.55 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.765 -0.731 . . . . 74.25 112.491 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 74.4 m -108.08 148.26 30.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.861 0.363 . . . . 72.02 110.852 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 p -153.15 38.68 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 72.43 110.825 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.6 p -49.59 110.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.111 -0.495 . . . . 71.21 111.13 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -71.23 87.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 74.35 110.845 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -76.1 67.92 2.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 73.11 110.895 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -146.57 -41.49 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.723 -0.751 . . . . 72.53 112.497 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -84.57 -26.46 27.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 75.24 110.918 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.64 -27.63 34.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.12 111.054 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.3 mm -52.85 -46.71 52.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 71.44 111.121 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.19 -33.22 37.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 75.51 112.512 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.4 mp -82.75 -37.41 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 73.31 111.123 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 54.6 mt -63.79 -40.5 89.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 73.33 111.154 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.83 -27.14 74.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 31.03 112.462 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -82.43 -45.33 14.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 73.12 110.89 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -57.48 -44.69 85.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 74.14 110.897 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.2 -29.53 61.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 74.24 111.103 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.11 -28.95 65.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 71.44 111.102 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.8 -29.64 41.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 55.54 111.103 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -86.68 -27.42 23.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 71.14 110.903 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mp -65.13 -35.69 81.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 63.42 110.909 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -82.02 -25.05 35.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 74.34 111.131 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.5 p -105.17 61.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 72.54 111.117 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.48 -80.97 0.32 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 75.15 112.439 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.01 151.67 19.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 75.24 112.506 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.13 -32.85 4.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.766 0.317 . . . . 74.42 110.854 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.09 28.62 3.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 72.04 111.125 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 56.69 47.87 81.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 74.13 112.529 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -143.97 168.67 19.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 75.53 110.942 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -81.14 84.97 6.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 72.31 110.901 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.708 -0.758 . . . . 74.43 112.478 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.788 0.328 . . . . 73.51 110.962 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -115.59 84.07 2.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 72.43 110.92 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -60.95 -26.07 67.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 73.33 110.925 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.53 -28.81 7.95 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.747 . . . . 74.42 112.452 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -67.54 -26.4 66.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.882 0.372 . . . . 72.21 110.902 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.04 36.79 0.3 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 72.32 112.486 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.0 t -92.5 150.5 3.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 74.23 111.101 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.2 t -155.77 131.06 9.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 75.5 110.86 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.5 t -173.83 122.32 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 64.4 110.906 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -136.6 -74.12 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 63.11 110.895 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -122.71 -33.75 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 73.44 110.859 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -68.83 -66.83 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 74.54 110.854 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.99 178.84 46.1 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.663 -0.779 . . . . 75.22 112.46 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.2 m -105.64 150.0 25.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 72.11 110.886 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.6 m -153.01 39.59 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.53 110.866 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.5 p -50.01 110.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 71.54 111.107 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -69.34 86.88 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 70.14 110.87 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -77.32 60.72 2.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 74.31 110.903 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.26 -42.06 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 61.1 112.543 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.34 22.47 12.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 71.53 110.905 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.38 -29.35 5.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 44.23 111.121 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.8 mm -51.32 145.64 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 73.45 111.123 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.61 -42.38 3.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 73.01 112.491 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 53.8 mt -72.42 -23.89 21.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.783 0.325 . . . . 73.35 111.095 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.9 mt -86.34 -41.18 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 74.33 111.133 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.48 -19.63 58.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 72.12 112.477 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -102.31 -32.61 9.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 73.01 110.935 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -57.49 -50.4 73.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 71.33 110.892 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.44 -31.88 71.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 65.24 111.141 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.18 -31.66 69.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 73.23 111.126 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.42 -29.14 65.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 74.13 111.074 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -85.43 -29.12 24.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 72.21 110.844 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.66 -34.29 77.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 74.35 110.851 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.3 t -87.91 -26.33 22.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 74.51 111.164 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.5 m 64.36 44.39 4.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 75.32 111.14 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -133.08 -48.07 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 53.24 112.503 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.99 -143.02 2.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.693 -0.765 . . . . 74.12 112.497 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -56.28 115.56 2.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.77 0.319 . . . . 64.42 110.905 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.73 136.6 39.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 73.42 111.112 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.28 -29.92 3.3 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.763 -0.732 . . . . 64.54 112.48 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 -59.55 170.99 0.92 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.856 0.36 . . . . 75.22 110.887 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -55.69 149.17 14.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 74.04 110.912 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 74.12 112.465 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 40.6 tttt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.8 0.333 . . . . 71.33 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -139.81 102.32 4.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 75.03 110.902 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -69.17 -32.75 72.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 73.43 110.96 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.77 -45.32 1.3 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.709 -0.758 . . . . 61.31 112.48 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -57.14 -24.86 57.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.82 0.343 . . . . 71.31 110.872 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.28 36.65 0.29 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 73.31 112.464 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.7 t -98.68 136.09 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.779 0.323 . . . . 74.32 111.172 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.2 t -115.72 112.34 21.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 72.32 110.847 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 98.6 m -134.0 155.04 50.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 71.42 110.902 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -123.71 -75.39 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 75.23 110.904 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.18 -40.09 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 72.01 110.926 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.33 8.26 4.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 65.35 110.854 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -138.68 138.65 9.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.698 -0.763 . . . . 74.21 112.484 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -120.37 -178.46 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 74.34 110.858 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.31 93.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 75.04 110.822 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 p -113.66 113.22 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 71.22 111.119 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.1 88.61 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 72.12 110.829 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -79.43 62.19 3.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 72.03 110.889 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -136.53 -42.9 0.1 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 73.24 112.478 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -99.54 27.65 5.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.811 0.339 . . . . 75.21 110.913 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.14 -38.34 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 71.0 111.094 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.8 mm -53.12 -43.18 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 74.02 111.162 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.12 -32.65 57.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.723 . . . . 64.13 112.512 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.4 mp -82.02 -43.79 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 72.14 111.137 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.3 mm -57.89 -29.8 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 75.32 111.105 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.48 -38.5 94.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 73.33 112.499 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -73.09 -27.47 61.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.347 . . . . 73.42 110.841 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -63.99 -58.47 6.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 75.53 110.884 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.04 -29.31 63.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 55.41 111.083 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.61 -25.73 53.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 71.1 111.142 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.77 -29.3 66.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 75.44 111.066 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -76.87 -32.37 57.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 63.2 110.9 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.5 mt -75.88 -42.21 49.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 71.25 110.886 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.1 t -76.56 -25.16 53.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 74.24 111.122 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.9 p 46.2 35.68 2.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 75.43 111.146 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.67 -33.77 5.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 61.2 112.47 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.93 -113.09 0.32 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.727 -0.749 . . . . 64.43 112.476 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -152.23 126.91 9.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.773 0.32 . . . . 75.34 110.909 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -151.87 164.95 36.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 73.14 111.152 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.12 72.79 0.47 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 63.42 112.484 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -59.7 163.17 4.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.775 0.322 . . . . 75.11 110.916 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp -55.92 -70.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 74.22 110.879 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 72.54 112.522 179.954 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.9 tptm . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.772 0.32 . . . . 75.21 110.837 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -133.81 99.83 4.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 63.25 110.896 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -62.87 -48.31 79.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 64.33 110.943 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.78 30.13 1.18 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 72.33 112.534 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -128.66 -63.08 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 75.14 110.902 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.47 22.89 0.25 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 74.13 112.514 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.0 t -101.97 161.53 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 74.1 111.115 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 65.45 94.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 75.43 110.902 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.8 p -91.82 -170.36 2.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 61.31 110.893 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -110.89 -56.23 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 72.24 110.913 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -152.35 -40.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 74.32 110.868 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -50.52 -73.69 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 72.43 110.898 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.41 152.43 14.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 64.21 112.451 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.3 m -101.02 177.79 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.332 . . . . 74.15 110.936 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -171.43 54.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.836 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 p -47.76 107.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 72.54 111.13 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.82 93.62 0.08 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 75.33 110.838 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 57.1 m95 -83.25 64.52 7.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 73.51 110.914 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -140.25 -49.01 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.751 . . . . 72.13 112.487 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -101.53 26.12 7.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.779 0.324 . . . . 64.12 110.933 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.87 -28.73 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.03 111.119 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.9 mp -76.94 -25.18 15.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 75.31 111.142 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.52 4.06 86.49 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.75 -0.738 . . . . 74.12 112.504 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 61.4 mt -112.99 -32.24 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 74.44 111.162 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.0 pt -59.38 -30.38 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 74.13 111.144 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.94 -23.49 38.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 53.13 112.484 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -86.35 -39.86 16.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 75.35 110.923 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -53.62 -57.81 9.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 64.3 110.866 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.87 -35.43 81.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 64.4 111.085 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.73 -27.99 20.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 72.02 111.129 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.73 -44.93 84.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 64.2 111.086 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -82.09 -24.83 34.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 64.1 110.897 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.95 -54.0 31.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 71.33 110.873 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.7 t -51.8 -42.49 62.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 72.12 111.111 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.8 t -79.32 -21.64 45.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 73.43 111.12 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.26 -81.99 0.26 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.738 -0.744 . . . . 64.0 112.456 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 152.29 -159.76 28.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.774 -0.726 . . . . 73.32 112.529 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -132.94 -50.06 0.88 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.809 0.338 . . . . 71.12 110.904 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -125.24 164.52 20.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 74.23 111.112 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -165.73 32.96 0.23 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 74.41 112.505 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -56.35 177.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.348 . . . . 72.32 110.94 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -117.28 75.17 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 74.35 110.92 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 72.12 112.497 179.92 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.833 0.349 . . . . 74.51 110.866 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -86.73 95.27 9.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.942 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -72.44 -37.05 68.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 74.44 110.93 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.91 21.63 7.35 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.763 -0.732 . . . . 70.44 112.514 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -124.25 26.02 7.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 74.42 110.845 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.31 19.27 19.13 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.734 -0.745 . . . . 64.33 112.47 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.6 t -90.94 142.02 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.885 0.374 . . . . 73.43 111.12 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.8 t -151.06 125.73 9.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 71.31 110.849 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.6 p -179.87 176.13 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 72.31 110.872 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -144.35 -68.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 61.33 110.833 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -162.14 49.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.861 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.0 pttm -150.86 -48.59 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 73.25 110.88 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -170.18 156.72 27.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.687 -0.768 . . . . 71.13 112.464 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.3 m -120.58 150.01 41.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 74.41 110.874 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.65 42.62 1.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 65.02 110.87 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.6 p -46.7 108.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 71.5 111.133 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.72 94.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 62.24 110.873 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 41.5 m95 -86.55 65.49 9.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 74.33 110.901 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.22 -42.84 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.75 -0.738 . . . . 65.34 112.493 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -89.65 -31.11 17.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 73.33 110.916 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.72 -26.86 60.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 71.23 111.091 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 51.4 mm -58.57 -28.27 36.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 75.25 111.126 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.78 19.72 51.27 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 52.33 112.519 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.0 mm -111.8 -28.39 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.344 . . . . 75.14 111.154 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 22.5 pt -62.74 -29.66 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 74.32 111.132 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.74 -32.47 69.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.692 -0.766 . . . . 74.41 112.513 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -80.04 -33.21 39.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 73.15 110.913 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -73.26 -49.28 28.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.906 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.69 -29.55 68.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 73.42 111.154 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.19 -38.8 66.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 74.43 111.119 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.68 -26.29 66.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 72.44 111.092 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -81.63 -27.31 34.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 72.53 110.857 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.2 mt -79.91 -49.96 11.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 75.24 110.905 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.0 t -76.38 -26.34 55.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 62.23 111.114 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.5 p 49.87 38.17 15.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 71.03 111.177 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.6 -60.31 4.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 65.22 112.469 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.59 57.4 1.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 73.55 112.505 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -127.32 154.3 45.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.347 . . . . 72.5 110.922 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -165.77 153.68 10.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 74.25 111.14 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.54 58.76 0.46 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.746 . . . . 73.13 112.47 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -133.43 35.67 3.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.851 0.357 . . . . 75.12 110.959 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? 57.91 48.4 13.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 65.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.781 -0.723 . . . . 71.32 112.495 179.928 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.833 0.349 . . . . 74.23 110.92 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -158.47 132.47 7.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 74.42 110.882 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -110.08 -65.13 1.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 74.54 110.935 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.49 -30.7 0.36 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.714 -0.755 . . . . 72.42 112.465 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -67.01 -26.5 66.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.899 0.38 . . . . 74.53 110.858 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 133.05 36.84 0.26 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.721 -0.752 . . . . 64.14 112.442 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.2 t -83.93 149.16 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 74.21 111.127 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.4 t -158.94 140.44 13.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 52.45 110.88 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.3 m -140.2 152.66 46.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 70.54 110.857 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -137.87 -75.18 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 75.14 110.881 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.33 -40.67 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.897 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -58.91 -44.31 91.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 72.55 110.925 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.62 -70.8 0.2 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 74.34 112.481 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -179.27 -175.14 0.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.872 0.367 . . . . 72.05 110.884 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 p -157.8 38.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 53.51 110.838 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.0 p -51.16 112.06 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 70.12 111.14 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.37 85.92 1.48 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 75.45 110.861 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 26.9 m95 -75.6 69.43 2.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.212 -0.449 . . . . 75.01 110.962 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.01 -39.24 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 62.23 112.493 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -98.06 -25.33 14.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 74.54 110.873 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.08 -34.81 78.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 75.22 111.083 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.3 mm -53.1 -39.47 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 75.23 111.164 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.94 -22.15 68.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.75 . . . . 73.2 112.521 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.2 mt -80.01 -33.13 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 71.4 111.143 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.3 mm -51.73 -30.2 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 64.2 111.119 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.79 -55.18 11.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.736 . . . . 74.32 112.518 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -51.9 -43.52 63.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.361 . . . . 54.43 110.86 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -59.55 -57.67 11.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 64.22 110.914 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.48 -18.82 60.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 71.42 111.117 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.45 12.13 19.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 72.41 111.124 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -105.21 -15.61 15.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 74.41 111.134 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -113.58 -18.57 11.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 74.04 110.864 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.73 -19.54 59.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 70.51 110.906 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.8 t -116.45 -30.42 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 75.12 111.155 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 m 61.17 41.79 13.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 65.44 111.097 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.86 -25.76 12.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 63.52 112.47 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -94.15 -133.06 6.77 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.783 -0.722 . . . . 72.35 112.48 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -96.28 135.9 37.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.827 0.346 . . . . 73.52 110.903 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.15 175.77 5.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 71.34 111.116 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.79 -70.12 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 72.24 112.508 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -120.21 -178.04 3.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.766 0.317 . . . . 73.52 110.942 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.4 tttm -102.54 105.58 16.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 75.52 110.924 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 63.45 112.52 179.922 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.7 tttt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.742 0.306 . . . . 74.33 110.893 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -170.63 103.73 0.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 73.45 110.873 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -74.07 -47.87 33.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 74.14 110.958 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.28 21.3 3.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 73.44 112.474 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -116.99 -13.69 10.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 74.15 110.933 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 159.27 -21.51 0.29 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.727 -0.749 . . . . 65.43 112.513 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.9 t -48.66 122.21 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.784 0.326 . . . . 74.53 111.126 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -176.58 169.28 2.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 63.03 110.876 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.6 m -50.64 150.85 2.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 75.31 110.902 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -140.8 -49.22 0.43 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 71.24 110.894 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.23 -69.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 73.13 110.872 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -117.84 -32.19 4.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 71.14 110.904 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -120.7 165.8 13.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.782 -0.723 . . . . 53.33 112.49 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.1 m -116.5 100.34 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.34 . . . . 64.03 110.886 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 m -178.95 67.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 73.42 110.833 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -149.68 115.6 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 73.42 111.121 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -69.88 87.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 71.33 110.854 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.1 m95 -74.18 70.93 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 75.2 110.896 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.57 -44.37 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.746 . . . . 74.44 112.5 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -97.01 -26.74 14.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 74.25 110.902 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.29 -24.7 67.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 74.33 111.076 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.9 mp -76.71 -25.17 15.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 74.12 111.157 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.94 -18.82 64.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.736 -0.745 . . . . 74.34 112.517 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 50.7 mm -77.44 -37.48 25.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.829 0.347 . . . . 72.11 111.187 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 45.3 mm -53.5 -32.54 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 75.11 111.163 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.35 -48.14 54.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 75.21 112.492 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -89.36 -27.63 20.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 74.4 110.917 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -62.89 -43.78 97.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 65.03 110.902 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.99 -32.25 39.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 53.35 111.107 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.61 -26.85 62.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.3 111.057 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.47 -26.57 61.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 54.14 111.082 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -91.43 -28.35 17.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 70.34 110.873 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.83 -26.04 67.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 72.33 110.896 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.1 t -116.9 -29.73 5.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 74.1 111.124 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -120.5 44.77 2.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 63.53 111.136 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -155.76 92.85 0.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.751 . . . . 44.5 112.491 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.54 -86.22 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.732 . . . . 74.44 112.49 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -102.99 142.35 34.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.792 0.33 . . . . 74.21 110.915 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -107.19 165.26 11.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 71.21 111.1 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 176.94 86.59 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.692 -0.766 . . . . 63.55 112.431 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.9 p90 -58.73 -22.29 57.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.879 0.371 . . . . 74.01 110.934 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -170.38 -66.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 75.34 110.906 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 72.24 112.478 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.78 0.324 . . . . 72.44 110.873 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -169.17 117.89 0.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.948 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -83.77 -51.11 7.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 75.02 110.906 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.18 -33.48 2.79 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 72.43 112.462 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -61.69 -24.81 67.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 64.23 110.894 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.63 36.49 0.29 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.761 -0.733 . . . . 74.13 112.499 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.8 t -102.7 133.79 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.331 . . . . 71.52 111.085 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -112.67 103.54 11.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 65.03 110.845 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 65.6 m -131.83 117.16 18.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 75.11 110.884 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -130.43 -74.4 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 61.11 110.856 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.9 pttm -132.49 -44.65 0.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 73.32 110.901 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -54.37 -27.46 36.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 70.53 110.847 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.27 -79.32 0.32 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.73 . . . . 63.01 112.493 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.89 171.1 15.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 74.51 110.908 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.78 34.72 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 71.45 110.85 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.0 p -52.42 111.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 64.41 111.128 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.95 -21.76 64.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 75.24 110.878 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 27.0 m95 58.77 60.04 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 75.14 110.914 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.9 -38.35 0.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 74.25 112.497 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -116.76 24.41 11.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.762 0.315 . . . . 75.32 110.89 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.47 -30.8 4.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 74.2 111.135 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.1 mp -60.6 143.91 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 75.41 111.128 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.3 -21.88 22.55 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 75.43 112.528 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.2 mt -96.52 -24.01 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.813 0.34 . . . . 74.4 111.113 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.7 mt -51.68 -38.84 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 64.0 111.102 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.12 -28.58 33.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 74.01 112.483 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -68.13 -29.57 68.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 74.3 110.9 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -60.44 -50.3 74.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 74.14 110.872 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.96 -33.65 70.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 74.42 111.127 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.8 -46.28 74.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 73.31 111.102 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.29 -26.59 63.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 75.01 111.152 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -87.12 -30.68 20.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.23 110.885 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 mt -69.99 -48.8 56.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 72.01 110.927 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.9 t -55.04 -28.9 55.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 72.03 111.102 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.3 p -104.55 25.36 10.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 75.42 111.149 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -109.2 -47.1 0.89 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 64.32 112.51 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.47 -114.57 0.95 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.788 -0.72 . . . . 64.22 112.525 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -110.09 166.42 10.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.752 0.31 . . . . 73.43 110.92 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -129.27 -178.57 4.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 74.43 111.082 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -133.04 59.45 0.68 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.709 -0.758 . . . . 73.32 112.505 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -57.72 -30.87 65.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.347 . . . . 74.01 110.934 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.61 -170.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 72.52 110.849 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 63.4 112.497 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.783 0.325 . . . . 74.43 110.878 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -164.48 118.42 1.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 72.31 110.927 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -87.07 -40.9 14.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 75.45 110.925 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.63 -21.45 5.06 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 71.21 112.478 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.19 22.65 6.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.37 . . . . 72.32 110.913 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.49 35.17 48.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.739 . . . . 74.4 112.479 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.4 t -96.78 141.89 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.856 0.36 . . . . 74.21 111.111 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.9 t -135.18 110.14 8.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 71.03 110.848 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.2 p -179.47 -175.56 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 73.05 110.899 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.13 -61.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 64.23 110.85 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -142.44 -40.63 0.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 74.45 110.957 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.11 -64.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.921 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -172.99 153.24 17.91 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 61.41 112.507 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.03 148.3 24.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.363 . . . . 75.21 110.889 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 p -160.69 55.58 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.35 110.858 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.7 p -49.1 109.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 72.01 111.148 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.94 -25.38 29.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.82 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.5 m95 59.18 40.4 21.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 65.04 110.91 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -120.83 -32.53 1.08 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 74.22 112.507 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -94.49 18.47 11.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.321 . . . . 71.34 110.868 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.74 -34.31 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 63.32 111.081 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.0 mm -51.17 145.29 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 75.41 111.121 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.75 -38.94 3.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 74.42 112.501 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.6 mt -81.55 -25.51 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.768 0.318 . . . . 74.43 111.104 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 61.1 mt -62.64 -37.33 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 74.02 111.13 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.28 -38.31 18.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.79 -0.719 . . . . 71.2 112.478 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -59.57 -41.56 90.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 73.22 110.926 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -57.38 -46.83 82.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 74.34 110.905 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.64 -26.26 66.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 70.3 111.101 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.99 -29.95 67.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 71.03 111.139 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.41 -26.36 67.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 75.03 111.098 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -77.68 -30.13 51.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 74.52 110.862 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.5 mt -66.26 -30.47 70.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 75.04 110.932 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 t -101.09 -26.28 13.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 72.22 111.125 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.1 m -128.0 70.34 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.53 111.121 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -106.5 -98.52 2.57 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.741 -0.742 . . . . 70.55 112.534 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.02 -61.68 0.42 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 51.14 112.513 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -112.59 177.72 4.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.309 . . . . 74.23 110.897 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.73 151.08 45.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 74.34 111.119 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.2 -34.12 55.61 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 73.24 112.503 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 22.6 p-90 -107.39 153.05 23.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 74.22 110.871 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -66.06 92.21 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 75.4 110.901 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 74.24 112.493 179.957 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 28.8 tttp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.824 0.345 . . . . 70.12 110.884 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -176.75 130.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 70.45 110.928 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -84.32 -73.67 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 73.5 110.932 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.52 -34.58 0.15 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.771 -0.728 . . . . 72.25 112.538 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -70.79 -61.89 1.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 74.02 110.882 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 172.85 35.39 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 64.01 112.526 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.6 t -91.29 133.5 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.896 0.379 . . . . 73.24 111.084 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.5 t -116.11 105.56 12.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 71.15 110.815 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 56.4 m -136.97 118.51 14.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 43.41 110.875 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -131.77 -68.26 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 73.12 110.87 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -137.78 -46.43 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 71.42 110.91 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -52.04 -51.45 57.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.881 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 165.0 -100.97 0.18 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 73.41 112.498 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.3 m -155.58 164.19 38.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.868 0.366 . . . . 71.22 110.86 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.91 39.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 71.41 110.867 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.8 p -50.35 110.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 74.43 111.108 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.73 86.36 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 65.12 110.858 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 35.6 m95 -75.52 69.9 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 75.1 110.94 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -147.04 -63.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 70.52 112.498 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -83.18 -25.93 31.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 75.21 110.889 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.83 -33.22 74.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 73.22 111.073 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.2 mm -56.5 -46.15 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 75.3 111.135 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.21 -20.9 61.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.784 -0.722 . . . . 73.5 112.51 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.5 mm -73.82 -30.28 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 74.33 111.175 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 28.0 mm -70.22 -29.03 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 72.45 111.15 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -89.37 -21.82 39.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 53.55 112.503 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -82.12 -47.6 12.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.369 . . . . 74.21 110.871 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -57.83 -43.16 85.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 74.55 110.893 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.02 -25.62 55.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 74.44 111.132 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.1 -26.31 64.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 73.35 111.093 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.67 -27.71 69.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 75.14 111.116 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -91.25 -31.84 15.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 71.43 110.871 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.2 mt -69.04 -49.77 54.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 75.12 110.944 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.2 t -54.93 -30.4 58.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 72.41 111.149 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.4 p -105.78 38.91 1.88 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 74.33 111.17 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -103.17 37.16 3.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 71.25 112.476 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -82.54 -77.83 1.06 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 54.15 112.501 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.06 179.26 6.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.334 . . . . 72.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -140.25 -169.52 2.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 73.55 111.091 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.21 -69.7 0.58 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 70.13 112.51 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -47.04 -33.63 5.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.824 0.345 . . . . 72.52 110.944 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 177.56 84.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.892 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 74.42 112.511 179.907 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.76 0.314 . . . . 73.15 110.914 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -132.86 90.12 2.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.222 -0.445 . . . . 72.34 110.917 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -63.23 -41.68 99.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.116 -0.493 . . . . 70.11 110.949 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.15 19.44 7.19 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 74.34 112.465 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -123.11 25.85 8.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 65.24 110.868 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 95.68 26.02 12.5 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 65.33 112.528 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.8 t -91.8 151.18 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 75.45 111.131 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.0 p -147.34 129.62 15.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 74.15 110.9 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.2 t -174.26 132.5 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 73.43 110.885 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -143.86 -62.24 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 75.14 110.891 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -140.05 -51.27 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 74.05 110.853 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.6 ttmt -51.88 -63.35 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 73.54 110.894 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.13 -166.5 34.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 75.23 112.527 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.6 m -122.2 159.72 26.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.348 . . . . 73.12 110.885 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.5 m -157.33 39.85 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 74.23 110.872 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.56 110.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 74.43 111.101 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -71.11 87.39 0.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 73.32 110.854 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -76.4 66.3 2.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 71.24 110.922 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.78 -43.02 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 74.24 112.533 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -102.37 17.68 22.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 74.41 110.863 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.09 -22.61 8.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 74.43 111.107 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.9 mm -50.9 146.53 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 74.25 111.137 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.7 -46.54 3.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.727 . . . . 73.33 112.5 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.1 mp -68.6 -26.67 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 73.33 111.142 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.0 mp -61.82 -43.98 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 73.04 111.149 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.33 -29.21 66.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 63.12 112.467 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -73.52 -39.3 64.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 64.53 110.9 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -54.23 -49.13 70.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 74.41 110.929 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.19 -29.49 69.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 54.33 111.108 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.14 -32.78 56.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 75.15 111.092 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.5 -26.75 44.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 70.11 111.122 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -90.33 -28.37 18.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 54.15 110.857 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.7 mt -66.7 -28.93 68.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 74.45 110.87 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 35' ' ' THR . 5.0 t -110.38 -29.61 8.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 74.44 111.117 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' THR . 10.1 t 37.36 43.47 0.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 65.21 111.15 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.9 -56.86 6.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 72.24 112.495 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.39 23.88 25.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.729 . . . . 62.02 112.477 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -98.46 88.43 4.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.351 . . . . 74.21 110.89 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -156.32 166.29 33.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 51.42 111.096 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.36 74.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.695 -0.764 . . . . 74.1 112.491 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 25.0 p-90 -133.15 40.54 3.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.831 0.348 . . . . 74.23 110.941 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm 54.74 53.34 10.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 74.53 110.927 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 52.32 112.464 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.768 0.318 . . . . 74.32 110.871 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -103.37 108.66 19.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 73.45 110.911 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -83.62 -48.09 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 75.45 110.933 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.16 -3.09 5.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 74.0 112.449 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -95.22 21.81 7.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 73.44 110.893 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.7 27.74 13.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 71.2 112.521 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.9 t -91.57 134.02 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 74.23 111.11 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.22 108.18 13.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 70.51 110.872 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.6 m -131.94 118.87 20.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 63.1 110.899 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -122.6 -73.6 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 70.01 110.866 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.2 -41.58 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 75.42 110.873 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 43.0 tttt -56.99 -27.65 61.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 75.33 110.859 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.32 -84.73 0.19 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 72.52 112.467 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -159.53 -179.54 8.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.834 0.349 . . . . 63.51 110.905 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.7 m -162.4 37.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 64.45 110.88 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.4 p -54.58 112.34 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 74.35 111.129 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.4 -18.65 63.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.21 110.877 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 21.0 m95 54.77 44.53 28.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 75.33 110.942 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -127.37 -34.21 0.58 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 74.55 112.488 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -106.13 29.34 6.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 71.33 110.903 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.5 -34.64 3.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 72.43 111.061 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.8 mp -75.42 -25.12 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 75.21 111.085 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.83 5.14 85.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 63.41 112.515 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.0 mt -115.62 -33.35 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.327 . . . . 65.13 111.129 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.0 pt -53.11 -28.56 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 74.44 111.12 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.37 -40.2 5.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 74.11 112.487 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -22.64 66.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 73.12 110.86 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -52.72 -30.34 31.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 73.53 110.92 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.74 -19.07 20.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 73.52 111.093 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.71 -33.59 74.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 72.4 111.08 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.3 -29.49 70.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 73.51 111.092 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -91.02 -38.41 12.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.13 110.892 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.0 mt -52.51 -35.48 53.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 73.33 110.879 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.1 t -81.38 -28.74 34.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 72.55 111.139 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.9 m -56.95 -47.61 80.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 72.14 111.188 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.69 69.73 1.14 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 64.23 112.487 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.28 -82.32 1.19 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 65.15 112.479 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 ptmm? -90.58 -27.22 19.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 71.3 110.892 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 61.59 39.99 13.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 73.33 111.137 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.14 59.28 0.36 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 71.42 112.486 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.6 p90 -48.65 -41.05 30.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.796 0.331 . . . . 73.41 110.882 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 177.44 94.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 75.11 110.9 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.717 -0.754 . . . . 74.51 112.474 179.921 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.82 0.343 . . . . 74.32 110.899 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -147.54 127.34 13.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 75.15 110.905 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -105.55 -72.11 0.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.116 -0.493 . . . . 72.41 110.942 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.17 -44.12 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 72.23 112.476 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -59.99 -23.63 63.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.917 0.389 . . . . 75.31 110.911 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 133.87 -3.36 4.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 71.43 112.439 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.8 t -43.89 136.81 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.847 0.356 . . . . 72.2 111.109 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.9 t -151.43 153.19 34.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 75.41 110.862 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 17.4 t -105.4 153.02 22.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 74.23 110.894 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.4 ' ND2' ' H ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -129.03 -62.54 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.848 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.4 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 1.7 mmpp? -145.69 -73.35 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.911 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -126.99 27.59 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 71.42 110.918 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -150.07 84.43 0.17 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.694 -0.765 . . . . 62.41 112.453 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.4 m -107.69 -168.23 1.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.883 0.373 . . . . 72.44 110.874 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 m 64.54 37.03 8.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 70.2 110.832 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 p -150.33 120.64 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 70.24 111.09 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.23 -24.27 64.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 75.4 110.844 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 30.1 m95 60.48 50.74 5.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 74.24 110.963 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -140.19 -49.95 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 71.2 112.477 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -84.84 -29.66 25.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.835 0.35 . . . . 72.31 110.917 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.96 -43.06 66.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 62.13 111.073 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.4 mm -55.95 -37.91 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 74.23 111.118 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.39 -24.24 75.01 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.793 -0.717 . . . . 54.33 112.467 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.3 mt -89.43 -42.15 14.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.78 0.324 . . . . 73.14 111.1 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.9 mt -69.14 -48.57 68.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 74.24 111.112 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.33 -22.19 55.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.794 -0.717 . . . . 64.04 112.493 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -88.07 -31.85 19.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 74.14 110.918 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -59.06 -49.92 76.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 53.3 110.924 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.71 -35.4 65.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 54.51 111.065 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.97 -27.19 41.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 72.12 111.136 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.22 -35.03 59.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 72.34 111.08 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -85.74 -26.44 25.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 63.23 110.866 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.61 -42.52 64.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.928 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.0 t -64.91 -33.81 76.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 73.42 111.143 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 p -73.03 -37.14 67.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 73.53 111.139 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.23 86.7 0.38 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.686 -0.769 . . . . 73.14 112.496 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.12 104.41 0.33 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 71.44 112.477 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 mtmm -61.76 164.35 6.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 74.35 110.893 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.36 137.62 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 61.43 111.158 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -130.8 67.61 0.56 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 71.3 112.503 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -148.45 167.42 25.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.875 0.369 . . . . 73.1 110.897 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.07 115.47 22.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 73.54 110.922 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.742 -0.742 . . . . 51.21 112.501 179.942 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.802 0.334 . . . . 75.55 110.871 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -86.95 141.29 28.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.53 110.925 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -120.26 -47.45 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 74.41 110.923 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.98 -1.69 5.07 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 73.14 112.422 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -94.05 18.75 10.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.387 . . . . 63.12 110.889 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.68 19.23 16.1 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.817 -0.706 . . . . 64.12 112.5 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.6 t -75.01 152.03 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 73.31 111.138 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.48 122.66 4.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 72.55 110.833 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.9 t -164.27 121.33 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 70.21 110.92 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.55 -72.33 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 73.12 110.9 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -141.13 -40.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 71.12 110.907 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -60.67 -60.26 4.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 74.3 110.92 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -170.35 -178.35 41.12 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.734 -0.746 . . . . 72.41 112.491 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.0 m -113.94 169.76 8.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.88 0.371 . . . . 75.52 110.863 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.76 38.04 0.31 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 61.32 110.883 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.15 110.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 74.32 111.089 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.73 86.14 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.3 110.868 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 29.5 m95 -75.59 69.89 2.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.899 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.53 -39.86 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.686 -0.769 . . . . 73.42 112.456 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -95.0 -27.51 15.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.786 0.327 . . . . 75.02 110.913 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.54 -26.0 63.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 74.3 111.135 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.1 mm -57.42 -31.45 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 75.55 111.143 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.95 17.72 58.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 75.41 112.503 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.1 mt -120.97 -34.05 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.844 0.354 . . . . 74.32 111.152 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.7 pt -54.96 -27.09 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 72.44 111.163 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.54 -27.58 68.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.802 -0.713 . . . . 72.32 112.469 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -91.43 -43.16 9.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.833 0.349 . . . . 72.25 110.88 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -58.87 -54.24 49.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.935 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.25 -27.27 68.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 75.2 111.093 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.13 -39.91 95.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 64.14 111.123 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.12 -33.53 58.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 74.14 111.132 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -74.84 -39.45 61.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.916 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.1 mt -55.85 -27.68 52.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 74.12 110.91 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.2 t -103.56 -27.36 12.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 74.54 111.132 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 m 60.62 44.62 11.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 75.41 111.174 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.56 -111.45 3.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 70.52 112.494 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.52 -65.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 70.04 112.475 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -139.73 176.93 8.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.333 . . . . 74.22 110.923 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -171.8 174.34 4.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 75.15 111.11 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' TRP . . . -179.1 80.99 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 34.12 112.489 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' GLY . 31.5 p-90 36.59 44.0 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 74.12 110.901 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm 51.42 60.67 3.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 72.12 110.889 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.7 -0.762 . . . . 72.32 112.46 179.947 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.792 0.33 . . . . 75.44 110.921 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -140.92 120.68 13.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 75.23 110.912 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -80.96 -74.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 72.53 110.94 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.58 -48.23 0.29 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 70.52 112.468 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -55.93 -26.37 47.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 74.13 110.91 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 148.18 -16.78 1.34 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 72.21 112.49 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.2 t -42.24 127.36 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 74.22 111.118 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.76 170.69 1.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.33 110.899 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.8 p -137.02 164.37 28.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 70.12 110.881 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -148.05 -48.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 73.34 110.895 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.05 25.14 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 75.41 110.932 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 mtpp -134.47 -71.91 0.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.879 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -172.56 155.55 23.43 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.773 -0.727 . . . . 74.44 112.51 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 74.8 m -89.35 -174.27 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 72.34 110.872 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 m 63.76 28.24 14.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 72.22 110.837 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.7 p -147.44 115.72 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 75.32 111.159 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -69.13 86.81 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 71.22 110.862 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 47.6 m95 -74.86 70.1 1.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 74.5 110.92 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -147.35 -46.05 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 73.44 112.48 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -87.15 -24.93 24.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.741 0.305 . . . . 65.33 110.839 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.9 -18.86 62.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 74.15 111.12 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.1 mm -66.52 141.5 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 73.03 111.124 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.16 -17.36 47.64 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.75 . . . . 71.43 112.505 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 78.8 mt -111.16 -28.0 2.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 65.13 111.137 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.6 pt -52.43 -31.09 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 75.21 111.156 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.9 -38.3 16.37 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.761 -0.733 . . . . 73.51 112.52 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -64.75 -36.05 83.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.354 . . . . 72.33 110.88 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -55.61 -52.69 62.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 72.45 110.908 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.55 -35.06 78.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 61.13 111.078 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.79 -34.66 59.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 73.34 111.15 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.17 -33.64 65.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 51.42 111.103 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -84.77 -26.28 27.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 71.11 110.883 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.32 -26.01 65.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 72.32 110.927 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -100.26 -30.41 11.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 63.31 111.165 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.3 m -79.65 -47.92 14.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 74.43 111.152 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -88.77 -59.84 1.57 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.734 -0.746 . . . . 73.51 112.512 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.3 161.6 1.05 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 60.54 112.508 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.77 26.75 11.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.352 . . . . 73.5 110.926 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.78 147.16 26.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 65.01 111.132 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 148.0 -36.86 1.11 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 71.2 112.481 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -54.36 -30.09 50.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.808 0.337 . . . . 74.22 110.894 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.15 -42.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 73.42 110.906 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 71.12 112.519 179.918 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.903 0.382 . . . . 60.439999999999998 110.863 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.422 ' O ' HG13 ' A' ' 16' ' ' VAL . 2.9 p -50.92 110.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 75.400000000000006 111.12 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.12 87.04 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 74.120000000000005 110.859 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -75.71 69.78 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 73.519999999999996 110.954 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.32 -41.98 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.686 -0.769 . . . . 74.310000000000002 112.498 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -87.63 -31.68 19.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 73.409999999999997 110.899 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.43 -36.81 81.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 54.130000000000003 111.119 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.7 mm -60.11 -34.05 55.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 71.420000000000002 111.183 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.02 -20.01 79.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 71.430000000000007 112.502 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 64.5 mt -84.16 -27.61 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.796 0.331 . . . . 74.540000000000006 111.169 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.2 mt -75.8 -39.39 38.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 53.140000000000001 111.158 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.47 -39.79 53.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 72.400000000000006 112.515 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -77.06 -39.45 49.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 72.319999999999993 110.905 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -54.09 -49.68 68.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 74.5 110.852 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.75 -31.34 66.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 72.299999999999997 111.064 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.15 -28.46 64.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 71.340000000000003 111.096 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.14 -27.0 62.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 65.340000000000003 111.109 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -82.29 -26.52 33.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 72.329999999999998 110.881 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.0 mt -75.81 -43.0 48.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 74.239999999999995 110.882 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.4 t -70.5 -25.91 63.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 71.540000000000006 111.15 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.7 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 65.420000000000002 111.184 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.4 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.885 0.374 . . . . 64.400000000000006 110.843 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.433 ' O ' HG13 ' A' ' 16' ' ' VAL . 2.8 p -50.75 110.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 72.129999999999995 111.116 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.15 86.11 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 73.200000000000003 110.809 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -75.62 69.68 2.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 74.519999999999996 110.964 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -144.12 -43.96 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.774 -0.727 . . . . 73.329999999999998 112.501 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -91.23 -26.81 18.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 74.510000000000005 110.879 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.7 -28.29 64.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 72.329999999999998 111.059 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.1 mm -57.26 -29.1 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 73.209999999999994 111.08 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.3 -24.37 71.2 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 72.010000000000005 112.468 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.4 mt -76.14 -36.18 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 71.129999999999995 111.15 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.6 mt -51.31 -30.04 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 53.130000000000003 111.121 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -104.97 -9.96 33.37 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.747 -0.739 . . . . 74.329999999999998 112.494 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -110.39 23.08 14.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 74.349999999999994 110.845 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -121.62 -34.34 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 71.310000000000002 110.866 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.07 -30.79 19.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 44.5 111.136 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.38 -42.35 92.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 53.399999999999999 111.076 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.59 -28.02 52.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 55.109999999999999 111.129 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -91.73 -34.3 14.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 73.450000000000003 110.916 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 mt -60.06 -34.42 73.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 72.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -79.19 -25.71 42.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 75.299999999999997 111.135 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.8 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 75.540000000000006 111.148 -179.955 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.928 0.394 . . . . 61.32 110.89 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 16' ' ' VAL . 2.8 p -50.4 110.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 74.129999999999995 111.141 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.61 87.85 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 74.219999999999999 110.879 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -75.61 69.88 2.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 74.129999999999995 110.928 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -153.57 -39.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 62.020000000000003 112.502 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -111.55 26.0 11.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 65.439999999999998 110.918 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.52 -25.94 7.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 61.420000000000002 111.119 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.421 HD12 ' H ' ' A' ' 22' ' ' ILE . 4.9 mp -78.13 -28.65 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 65.109999999999999 111.094 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.78 -19.23 63.9 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.743 . . . . 62.340000000000003 112.477 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.4 mm -78.96 -25.26 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 75.329999999999998 111.083 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.7 mt -52.06 -35.7 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 63.030000000000001 111.095 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.76 -33.18 55.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 74.310000000000002 112.451 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.7 m120 -90.79 -32.09 16.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 33.109999999999999 110.914 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -64.27 -46.57 83.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 64.129999999999995 110.93 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.83 -26.15 67.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 43.109999999999999 111.081 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.06 -27.8 67.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 75.420000000000002 111.075 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.66 -26.61 63.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 72.319999999999993 111.077 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -90.56 -27.59 19.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 73.219999999999999 110.88 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.3 mt -84.22 -39.08 19.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 62.25 110.915 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.0 t -55.05 -32.85 62.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 72.420000000000002 111.151 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.6 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 71.340000000000003 111.113 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.879 0.371 . . . . 73.310000000000002 110.831 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 16' ' ' VAL . 2.7 p -50.4 110.74 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 64.310000000000002 111.134 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.61 86.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 43.399999999999999 110.859 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -75.59 69.95 2.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 72.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.18 -54.45 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 72.310000000000002 112.453 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -87.63 -25.31 23.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 65.219999999999999 110.927 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.65 -25.18 63.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 73.230000000000004 111.136 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.505 ' HA ' HD12 ' A' ' 25' ' ' ILE . 45.3 mm -55.92 -27.46 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 75.150000000000006 111.152 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.66 -19.78 75.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 73.25 112.479 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.6 mt -88.47 -30.04 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.742 0.306 . . . . 64.540000000000006 111.08 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 22' ' ' ILE . 74.4 mt -54.7 -31.13 23.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 73.510000000000005 111.157 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.08 -19.81 74.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 74.299999999999997 112.479 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -91.94 -36.2 13.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.348 . . . . 71.439999999999998 110.843 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -53.54 -62.12 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 74.109999999999999 110.897 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.96 79.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 32.329999999999998 111.144 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.4 -25.74 62.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.439999999999998 111.09 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.89 -33.9 71.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 63.240000000000002 111.078 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -74.54 -32.95 62.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 73.450000000000003 110.909 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.86 -26.55 67.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 64.120000000000005 110.934 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.6 p -87.35 -24.98 24.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 73.019999999999996 111.135 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 72.219999999999999 111.154 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.909 0.385 . . . . 75.040000000000006 110.861 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 16' ' ' VAL . 2.4 p -47.91 109.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 63.420000000000002 111.127 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -68.53 87.73 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 73.010000000000005 110.868 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -77.04 63.09 2.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 75.239999999999995 110.912 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.52 -41.6 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 60.409999999999997 112.536 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.06 26.19 10.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 74.400000000000006 110.907 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.76 -36.55 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 63.43 111.114 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 51.3 mm -58.35 -31.14 42.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 64.109999999999999 111.121 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.22 -0.71 90.31 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 55.509999999999998 112.511 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.3 mm -102.91 -52.85 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.788 0.328 . . . . 71.140000000000001 111.112 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.0 mt -55.26 -30.14 24.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 73.129999999999995 111.105 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.09 14.78 62.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.699 -0.762 . . . . 74.239999999999995 112.501 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -125.96 -37.53 2.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 73.230000000000004 110.878 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -66.93 -26.84 67.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 64.209999999999994 110.88 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.11 23.16 14.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 43.109999999999999 111.114 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.1 -32.06 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 62.240000000000002 111.06 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.04 -25.32 63.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 72.530000000000001 111.086 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -86.62 -27.06 24.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 73.540000000000006 110.872 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.5 mt -70.78 -62.65 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 73.140000000000001 110.951 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.9 t -54.46 -27.18 35.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 73.439999999999998 111.12 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 71.219999999999999 111.168 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.916 0.389 . . . . 72.430000000000007 110.825 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 16' ' ' VAL . 2.6 p -49.59 110.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.111 -0.495 . . . . 45.149999999999999 111.13 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -71.23 87.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 74.349999999999994 110.845 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -76.1 67.92 2.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 73.109999999999999 110.895 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -146.57 -41.49 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.723 -0.751 . . . . 72.530000000000001 112.497 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -84.57 -26.46 27.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 53.140000000000001 110.918 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.434 ' HA ' HD13 ' A' ' 24' ' ' ILE . . . -81.64 -27.63 34.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.120000000000005 111.054 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.428 ' HA ' HD12 ' A' ' 25' ' ' ILE . 50.3 mm -52.85 -46.71 52.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 71.439999999999998 111.121 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.19 -33.22 37.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 75.510000000000005 112.512 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.439 HD12 ' H ' ' A' ' 24' ' ' ILE . 5.4 mp -82.75 -37.41 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 61.219999999999999 111.123 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 22' ' ' ILE . 54.6 mt -63.79 -40.5 89.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 71.209999999999994 111.154 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.83 -27.14 74.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 31.030000000000001 112.462 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -82.43 -45.33 14.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 71.430000000000007 110.89 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -57.48 -44.69 85.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 74.140000000000001 110.897 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.2 -29.53 61.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 62.32 111.103 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.457 ' HA ' HD13 ' A' ' 33' ' ' LEU . . . -58.11 -28.95 65.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 61.509999999999998 111.102 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.8 -29.64 41.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 55.539999999999999 111.103 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -86.68 -27.42 23.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 50.409999999999997 110.903 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 30' ' ' ALA . 9.4 mp -65.13 -35.69 81.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 54.530000000000001 110.909 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.516 HG23 HG23 ' A' ' 35' ' ' THR . 15.3 t -82.02 -25.05 35.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 64.030000000000001 111.131 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.516 HG23 HG23 ' A' ' 34' ' ' THR . 35.5 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 63.439999999999998 111.117 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.6 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.869 0.366 . . . . 75.530000000000001 110.866 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.404 HG13 ' O ' ' A' ' 16' ' ' VAL . 2.5 p -50.01 110.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 63.409999999999997 111.107 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -69.34 86.88 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 70.140000000000001 110.87 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -77.32 60.72 2.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 73.219999999999999 110.903 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.26 -42.06 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 61.100000000000001 112.543 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.34 22.47 12.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 71.530000000000001 110.905 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.38 -29.35 5.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 34.130000000000003 111.121 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.8 mm -51.32 145.64 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 71.150000000000006 111.123 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.61 -42.38 3.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 73.010000000000005 112.491 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 53.8 mt -72.42 -23.89 21.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.783 0.325 . . . . 73.349999999999994 111.095 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.9 mt -86.34 -41.18 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 74.329999999999998 111.133 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.48 -19.63 58.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 72.120000000000005 112.477 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -102.31 -32.61 9.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 73.010000000000005 110.935 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -57.49 -50.4 73.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 62.32 110.892 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.44 -31.88 71.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 65.239999999999995 111.141 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.18 -31.66 69.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 73.230000000000004 111.126 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.42 -29.14 65.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 74.129999999999995 111.074 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -85.43 -29.12 24.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 63.43 110.844 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.66 -34.29 77.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 74.349999999999994 110.851 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.3 t -87.91 -26.33 22.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 64.409999999999997 111.164 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 75.319999999999993 111.14 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.963 0.411 . . . . 70.329999999999998 110.822 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 p -113.66 113.22 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 71.219999999999999 111.119 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.1 88.61 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 72.120000000000005 110.829 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -79.43 62.19 3.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 64.430000000000007 110.889 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -136.53 -42.9 0.1 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 73.239999999999995 112.478 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -99.54 27.65 5.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.811 0.339 . . . . 72.200000000000003 110.913 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.464 ' HA ' HD13 ' A' ' 24' ' ' ILE . . . -121.14 -38.34 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 62.219999999999999 111.094 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.8 mm -53.12 -43.18 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 65.510000000000005 111.162 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.12 -32.65 57.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.723 . . . . 64.129999999999995 112.512 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.464 HD13 ' HA ' ' A' ' 21' ' ' ALA . 5.4 mp -82.02 -43.79 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 72.140000000000001 111.137 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.3 mm -57.89 -29.8 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 65.319999999999993 111.105 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.48 -38.5 94.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 70.109999999999999 112.499 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -73.09 -27.47 61.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.347 . . . . 73.420000000000002 110.841 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -63.99 -58.47 6.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 75.530000000000001 110.884 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.04 -29.31 63.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 55.409999999999997 111.083 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.465 ' O ' HG22 ' A' ' 34' ' ' THR . . . -56.61 -25.73 53.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 50.439999999999998 111.142 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.77 -29.3 66.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 62.240000000000002 111.066 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.439 ' O ' HG23 ' A' ' 35' ' ' THR . 10.0 m-80 -76.87 -32.37 57.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 63.200000000000003 110.9 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.5 mt -75.88 -42.21 49.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 63.43 110.886 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 30' ' ' ALA . 8.1 t -76.56 -25.16 53.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 61.219999999999999 111.122 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 32' ' ' ASN . 5.9 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 75.430000000000007 111.146 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.928 0.394 . . . . 74.209999999999994 110.836 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 p -47.76 107.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 72.129999999999995 111.13 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.82 93.62 0.08 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 75.329999999999998 110.838 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 57.1 m95 -83.25 64.52 7.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 61.219999999999999 110.914 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -140.25 -49.01 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.751 . . . . 72.129999999999995 112.487 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -101.53 26.12 7.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.779 0.324 . . . . 64.120000000000005 110.933 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.87 -28.73 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 53.5 111.119 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.431 HD12 ' H ' ' A' ' 22' ' ' ILE . 4.9 mp -76.94 -25.18 15.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 62.240000000000002 111.142 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.52 4.06 86.49 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.75 -0.738 . . . . 74.120000000000005 112.504 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 61.4 mt -112.99 -32.24 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 63.530000000000001 111.162 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.0 pt -59.38 -30.38 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 60.43 111.144 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.94 -23.49 38.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 53.130000000000003 112.484 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -86.35 -39.86 16.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 75.349999999999994 110.923 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -53.62 -57.81 9.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 64.299999999999997 110.866 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.618 ' O ' HD12 ' A' ' 33' ' ' LEU . . . -64.87 -35.43 81.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 64.400000000000006 111.085 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.73 -27.99 20.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 62.509999999999998 111.129 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.73 -44.93 84.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 63.310000000000002 111.086 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -82.09 -24.83 34.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 55.399999999999999 110.897 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.618 HD12 ' O ' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -65.95 -54.0 31.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 63.340000000000003 110.873 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.7 t -51.8 -42.49 62.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 70.329999999999998 111.111 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 73.430000000000007 111.12 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.933 0.397 . . . . 65.019999999999996 110.87 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.6 p -46.7 108.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 71.109999999999999 111.133 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.72 94.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 62.240000000000002 110.873 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 41.5 m95 -86.55 65.49 9.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 61.420000000000002 110.901 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.22 -42.84 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.75 -0.738 . . . . 63.520000000000003 112.493 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -89.65 -31.11 17.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 72.140000000000001 110.916 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.72 -26.86 60.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 71.230000000000004 111.091 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 51.4 mm -58.57 -28.27 36.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 75.25 111.126 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.78 19.72 51.27 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 52.329999999999998 112.519 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.0 mm -111.8 -28.39 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.344 . . . . 61.329999999999998 111.154 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 22.5 pt -62.74 -29.66 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 64.040000000000006 111.132 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.485 ' O ' ' HB2' ' A' ' 30' ' ' ALA . . . -58.74 -32.47 69.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.692 -0.766 . . . . 74.409999999999997 112.513 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -80.04 -33.21 39.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 72.329999999999998 110.913 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -73.26 -49.28 28.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 75.439999999999998 110.906 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.69 -29.55 68.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 73.420000000000002 111.154 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.665 ' O ' HG22 ' A' ' 34' ' ' THR . . . -54.19 -38.8 66.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 74.430000000000007 111.119 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.68 -26.29 66.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 71.340000000000003 111.092 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -81.63 -27.31 34.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 62.219999999999999 110.857 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.2 mt -79.91 -49.96 11.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 72.140000000000001 110.905 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.665 HG22 ' O ' ' A' ' 30' ' ' ALA . 5.0 t -76.38 -26.34 55.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 62.229999999999997 111.114 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.5 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 43.210000000000001 111.177 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.91 0.386 . . . . 45.219999999999999 110.838 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.416 ' O ' HG13 ' A' ' 16' ' ' VAL . 3.0 p -51.16 112.06 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 62.0 111.14 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.37 85.92 1.48 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 75.450000000000003 110.861 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 26.9 m95 -75.6 69.43 2.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.212 -0.449 . . . . 63.130000000000003 110.962 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.01 -39.24 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 60.119999999999997 112.493 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -98.06 -25.33 14.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 72.140000000000001 110.873 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.08 -34.81 78.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 45.32 111.083 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.3 mm -53.1 -39.47 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 75.230000000000004 111.164 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.94 -22.15 68.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.75 . . . . 73.200000000000003 112.521 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.2 mt -80.01 -33.13 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 62.399999999999999 111.143 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.3 mm -51.73 -30.2 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 64.200000000000003 111.119 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.79 -55.18 11.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.736 . . . . 74.319999999999993 112.518 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -51.9 -43.52 63.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.361 . . . . 54.219999999999999 110.86 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -59.55 -57.67 11.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 43.119999999999997 110.914 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.48 -18.82 60.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 53.229999999999997 111.117 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.49 ' HA ' HD22 ' A' ' 33' ' ' LEU . . . -90.45 12.13 19.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 54.520000000000003 111.124 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -105.21 -15.61 15.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 70.420000000000002 111.134 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -113.58 -18.57 11.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 62.340000000000003 110.864 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.592 HD23 ' N ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -60.73 -19.54 59.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 65.310000000000002 110.906 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.592 ' N ' HD23 ' A' ' 33' ' ' LEU . 9.8 t -116.45 -30.42 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 72.439999999999998 111.155 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 61.509999999999998 111.097 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.897 0.38 . . . . 62.200000000000003 110.833 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -149.68 115.6 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 73.420000000000002 111.121 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -69.88 87.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 62.329999999999998 110.854 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.1 m95 -74.18 70.93 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 75.200000000000003 110.896 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.57 -44.37 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.746 . . . . 74.439999999999998 112.5 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.525 ' NZ ' HD11 ' A' ' 24' ' ' ILE . 5.5 tmtt? -97.01 -26.74 14.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 73.200000000000003 110.902 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.29 -24.7 67.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 72.439999999999998 111.076 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.453 HD12 ' H ' ' A' ' 22' ' ' ILE . 4.9 mp -76.71 -25.17 15.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 74.120000000000005 111.157 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.94 -18.82 64.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.736 -0.745 . . . . 74.340000000000003 112.517 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.525 HD11 ' NZ ' ' A' ' 20' ' ' LYS . 50.7 mm -77.44 -37.48 25.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.829 0.347 . . . . 55.530000000000001 111.187 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 45.3 mm -53.5 -32.54 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 72.209999999999994 111.163 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.35 -48.14 54.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 75.209999999999994 112.492 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -89.36 -27.63 20.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 71.340000000000003 110.917 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -62.89 -43.78 97.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 61.229999999999997 110.902 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.99 -32.25 39.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 43.299999999999997 111.107 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.61 -26.85 62.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.299999999999997 111.057 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.47 -26.57 61.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 54.140000000000001 111.082 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -91.43 -28.35 17.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 31.309999999999999 110.873 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.83 -26.04 67.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 72.230000000000004 110.896 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.1 t -116.9 -29.73 5.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 74.099999999999994 111.124 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 62.329999999999998 111.136 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.875 0.369 . . . . 71.120000000000005 110.85 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.478 ' O ' HG13 ' A' ' 16' ' ' VAL . 4.0 p -52.42 111.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 64.409999999999997 111.128 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.95 -21.76 64.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 73.400000000000006 110.878 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.623 ' HZ3' HD11 ' A' ' 25' ' ' ILE . 27.0 m95 58.77 60.04 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 63.420000000000002 110.914 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.9 -38.35 0.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 64.510000000000005 112.497 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -116.76 24.41 11.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.762 0.315 . . . . 75.319999999999993 110.89 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.47 -30.8 4.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 74.200000000000003 111.135 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.527 HD12 ' H ' ' A' ' 22' ' ' ILE . 5.1 mp -60.6 143.91 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 70.109999999999999 111.128 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.3 -21.88 22.55 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 75.430000000000007 112.528 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.2 mt -96.52 -24.01 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.813 0.34 . . . . 73.299999999999997 111.113 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.623 HD11 ' HZ3' ' A' ' 18' ' ' TRP . 56.7 mt -51.68 -38.84 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 64.0 111.102 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.12 -28.58 33.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 74.010000000000005 112.483 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -68.13 -29.57 68.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 72.230000000000004 110.9 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -60.44 -50.3 74.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 74.140000000000001 110.872 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.96 -33.65 70.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 74.420000000000002 111.127 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.8 -46.28 74.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 72.310000000000002 111.102 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.29 -26.59 63.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 72.439999999999998 111.152 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -87.12 -30.68 20.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 65.540000000000006 110.885 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 mt -69.99 -48.8 56.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 65.049999999999997 110.927 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.688 HG23 HG23 ' A' ' 35' ' ' THR . 12.9 t -55.04 -28.9 55.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 72.030000000000001 111.102 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.688 HG23 HG23 ' A' ' 34' ' ' THR . 24.3 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 75.420000000000002 111.149 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.862 0.363 . . . . 73.349999999999994 110.858 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.7 p -49.1 109.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 72.010000000000005 111.148 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.94 -25.38 29.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 73.319999999999993 110.82 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.5 m95 59.18 40.4 21.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 63.399999999999999 110.91 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -120.83 -32.53 1.08 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 74.219999999999999 112.507 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -94.49 18.47 11.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.321 . . . . 71.219999999999999 110.868 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.74 -34.31 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 51.420000000000002 111.081 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.0 mm -51.17 145.29 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 65.140000000000001 111.121 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.75 -38.94 3.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 73.239999999999995 112.501 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.6 mt -81.55 -25.51 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.768 0.318 . . . . 74.430000000000007 111.104 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 61.1 mt -62.64 -37.33 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 52.409999999999997 111.13 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.28 -38.31 18.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.79 -0.719 . . . . 71.200000000000003 112.478 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 16.6 m120 -59.57 -41.56 90.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 54.350000000000001 110.926 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -57.38 -46.83 82.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 74.340000000000003 110.905 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.64 -26.26 66.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 65.109999999999999 111.101 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 27' ' ' ASN . . . -58.99 -29.95 67.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 63.350000000000001 111.139 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.41 -26.36 67.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 75.030000000000001 111.098 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -77.68 -30.13 51.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 74.519999999999996 110.862 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.5 mt -66.26 -30.47 70.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 73.310000000000002 110.932 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 t -101.09 -26.28 13.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 60.130000000000003 111.125 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.1 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.530000000000001 111.121 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.932 0.396 . . . . 71.409999999999997 110.867 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.422 ' O ' HG13 ' A' ' 16' ' ' VAL . 2.8 p -50.35 110.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 62.439999999999998 111.108 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.73 86.36 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 65.120000000000005 110.858 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.412 ' CZ2' HG21 ' A' ' 16' ' ' VAL . 35.6 m95 -75.52 69.9 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 75.099999999999994 110.94 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -147.04 -63.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 70.519999999999996 112.498 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -83.18 -25.93 31.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 71.310000000000002 110.889 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.83 -33.22 74.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 64.400000000000006 111.073 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.2 mm -56.5 -46.15 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 75.299999999999997 111.135 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.21 -20.9 61.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.784 -0.722 . . . . 73.5 112.51 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.5 mm -73.82 -30.28 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 51.420000000000002 111.175 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 28.0 mm -70.22 -29.03 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 71.140000000000001 111.15 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.439 ' O ' ' HB2' ' A' ' 30' ' ' ALA . . . -89.37 -21.82 39.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 23.510000000000002 112.503 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -82.12 -47.6 12.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.369 . . . . 74.209999999999994 110.871 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -57.83 -43.16 85.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 74.549999999999997 110.893 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.02 -25.62 55.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 74.439999999999998 111.132 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 26' ' ' GLY . . . -59.1 -26.31 64.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 73.349999999999994 111.093 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.67 -27.71 69.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 70.439999999999998 111.116 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -91.25 -31.84 15.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 71.430000000000007 110.871 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.2 mt -69.04 -49.77 54.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 75.120000000000005 110.944 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.725 HG23 HG23 ' A' ' 35' ' ' THR . 10.2 t -54.93 -30.4 58.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 72.409999999999997 111.149 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.725 HG23 HG23 ' A' ' 34' ' ' THR . 69.4 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 74.329999999999998 111.17 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.5 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.924 0.392 . . . . 74.230000000000004 110.872 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.413 ' O ' HG13 ' A' ' 16' ' ' VAL . 2.7 p -50.56 110.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 74.430000000000007 111.101 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -71.11 87.39 0.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 62.210000000000001 110.854 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -76.4 66.3 2.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 65.099999999999994 110.922 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.78 -43.02 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 74.239999999999995 112.533 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -102.37 17.68 22.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 74.409999999999997 110.863 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.09 -22.61 8.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 64.120000000000005 111.107 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.9 mm -50.9 146.53 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 74.25 111.137 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.7 -46.54 3.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.727 . . . . 73.329999999999998 112.5 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.1 mp -68.6 -26.67 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 73.329999999999998 111.142 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.0 mp -61.82 -43.98 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 71.150000000000006 111.149 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.33 -29.21 66.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 61.149999999999999 112.467 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.423 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 29.0 m120 -73.52 -39.3 64.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 63.240000000000002 110.9 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -54.23 -49.13 70.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 74.099999999999994 110.929 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.19 -29.49 69.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 45.530000000000001 111.108 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 27' ' ' ASN . . . -54.14 -32.78 56.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 75.150000000000006 111.092 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.5 -26.75 44.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 62.329999999999998 111.122 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -90.33 -28.37 18.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 53.509999999999998 110.857 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.7 mt -66.7 -28.93 68.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 74.450000000000003 110.87 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 35' ' ' THR . 5.0 t -110.38 -29.61 8.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 53.539999999999999 111.117 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' THR . 10.1 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 63.210000000000001 111.15 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.937 0.398 . . . . 41.409999999999997 110.88 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' ' 16' ' ' VAL . 4.4 p -54.58 112.34 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 74.349999999999994 111.129 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.4 -18.65 63.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.209999999999994 110.877 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 21.0 m95 54.77 44.53 28.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 75.329999999999998 110.942 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -127.37 -34.21 0.58 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 62.310000000000002 112.488 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -106.13 29.34 6.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 65.510000000000005 110.903 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.5 -34.64 3.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 72.120000000000005 111.061 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.459 HD12 ' H ' ' A' ' 22' ' ' ILE . 4.8 mp -75.42 -25.12 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 75.209999999999994 111.085 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.83 5.14 85.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 52.020000000000003 112.515 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.0 mt -115.62 -33.35 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.327 . . . . 62.210000000000001 111.129 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.0 pt -53.11 -28.56 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 74.439999999999998 111.12 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.37 -40.2 5.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 74.109999999999999 112.487 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.08 -22.64 66.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 63.340000000000003 110.86 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -52.72 -30.34 31.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 70.299999999999997 110.92 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.74 -19.07 20.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 73.519999999999996 111.093 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.71 -33.59 74.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 60.119999999999997 111.08 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.3 -29.49 70.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 73.510000000000005 111.092 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -91.02 -38.41 12.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 72.349999999999994 110.892 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.0 mt -52.51 -35.48 53.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 70.319999999999993 110.879 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.1 t -81.38 -28.74 34.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 44.399999999999999 111.139 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.9 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 63.020000000000003 111.188 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.882 0.372 . . . . 41.229999999999997 110.832 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 p -150.33 120.64 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 70.239999999999995 111.09 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.23 -24.27 64.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 75.400000000000006 110.844 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 30.1 m95 60.48 50.74 5.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 74.239999999999995 110.963 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -140.19 -49.95 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 33.350000000000001 112.477 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -84.84 -29.66 25.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.835 0.35 . . . . 72.310000000000002 110.917 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.96 -43.06 66.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 62.130000000000003 111.073 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.4 mm -55.95 -37.91 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 74.230000000000004 111.118 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.39 -24.24 75.01 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.793 -0.717 . . . . 54.329999999999998 112.467 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.3 mt -89.43 -42.15 14.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.78 0.324 . . . . 63.200000000000003 111.1 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.9 mt -69.14 -48.57 68.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 72.25 111.112 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.33 -22.19 55.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.794 -0.717 . . . . 64.040000000000006 112.493 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -88.07 -31.85 19.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 65.329999999999998 110.918 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -59.06 -49.92 76.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 44.240000000000002 110.924 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.71 -35.4 65.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 45.420000000000002 111.065 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.97 -27.19 41.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 72.120000000000005 111.136 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.22 -35.03 59.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 72.340000000000003 111.08 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -85.74 -26.44 25.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 52.240000000000002 110.866 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.61 -42.52 64.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 72.239999999999995 110.928 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.0 t -64.91 -33.81 76.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 73.019999999999996 111.143 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 50.109999999999999 111.139 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.934 0.397 . . . . 22.309999999999999 110.883 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.42 ' O ' HG13 ' A' ' 16' ' ' VAL . 2.7 p -50.15 110.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 74.319999999999993 111.089 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.73 86.14 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.299999999999997 110.868 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 29.5 m95 -75.59 69.89 2.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 74.230000000000004 110.899 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.53 -39.86 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.686 -0.769 . . . . 73.120000000000005 112.456 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -95.0 -27.51 15.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.786 0.327 . . . . 75.019999999999996 110.913 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.428 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -70.54 -26.0 63.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 53.399999999999999 111.135 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.1 mm -57.42 -31.45 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 75.549999999999997 111.143 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.95 17.72 58.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 75.409999999999997 112.503 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 21' ' ' ALA . 62.1 mt -120.97 -34.05 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.844 0.354 . . . . 73.019999999999996 111.152 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.7 pt -54.96 -27.09 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 63.229999999999997 111.163 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.54 -27.58 68.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.802 -0.713 . . . . 52.240000000000002 112.469 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -91.43 -43.16 9.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.833 0.349 . . . . 54.310000000000002 110.88 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -58.87 -54.24 49.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 62.520000000000003 110.935 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.25 -27.27 68.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 70.310000000000002 111.093 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.13 -39.91 95.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 60.039999999999999 111.123 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.12 -33.53 58.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 70.430000000000007 111.132 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -74.84 -39.45 61.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 74.329999999999998 110.916 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.1 mt -55.85 -27.68 52.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 73.310000000000002 110.91 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.2 t -103.56 -27.36 12.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 74.540000000000006 111.132 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 75.409999999999997 111.174 -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.882 0.372 . . . . 72.219999999999999 110.837 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.7 p -147.44 115.72 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 52.009999999999998 111.159 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -69.13 86.81 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 71.219999999999999 110.862 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 47.6 m95 -74.86 70.1 1.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 74.5 110.92 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -147.35 -46.05 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 34.109999999999999 112.48 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -87.15 -24.93 24.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.741 0.305 . . . . 62.409999999999997 110.839 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' ' 25' ' ' ILE . . . -71.9 -18.86 62.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 73.420000000000002 111.12 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.1 mm -66.52 141.5 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 64.400000000000006 111.124 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.16 -17.36 47.64 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.75 . . . . 60.240000000000002 112.505 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 78.8 mt -111.16 -28.0 2.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 63.539999999999999 111.137 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 21' ' ' ALA . 16.6 pt -52.43 -31.09 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 75.209999999999994 111.156 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.9 -38.3 16.37 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.761 -0.733 . . . . 63.25 112.52 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -64.75 -36.05 83.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.354 . . . . 70.319999999999993 110.88 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -55.61 -52.69 62.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 72.450000000000003 110.908 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.55 -35.06 78.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 35.229999999999997 111.078 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.79 -34.66 59.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 73.340000000000003 111.15 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.17 -33.64 65.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 24.129999999999999 111.103 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -84.77 -26.28 27.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 71.109999999999999 110.883 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.32 -26.01 65.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 55.119999999999997 110.927 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -100.26 -30.41 11.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 45.240000000000002 111.165 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.3 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 74.430000000000007 111.152 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.805 0.336 . . . . 70.310000000000002 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -132.72 97.1 3.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 71.540000000000006 110.929 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -65.59 -42.53 91.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 64.209999999999994 110.898 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.81 19.85 6.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.802 -0.713 . . . . 52.450000000000003 112.512 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.451 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 9.7 p30 -124.72 24.16 7.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 52.100000000000001 110.865 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 99.07 26.23 9.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 64.219999999999999 112.482 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.879 HG22 HG23 ' A' ' 16' ' ' VAL . 20.9 t -92.45 150.6 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 73.340000000000003 111.135 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.9 p -146.79 130.17 16.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 52.210000000000001 110.835 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.5 t -173.94 126.78 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 74.329999999999998 110.845 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.12 -62.64 0.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 64.349999999999994 110.881 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -146.52 -45.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 64.5 110.863 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.9 tttp -55.31 -53.93 49.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 74.299999999999997 110.867 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.34 -169.02 41.75 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.733 -0.746 . . . . 75.129999999999995 112.497 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.0 m -120.93 164.42 16.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 63.25 110.9 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.1 m -160.54 40.0 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 60.439999999999998 110.863 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.879 HG23 HG22 ' A' ' 7' ' ' VAL . 2.9 p -50.92 110.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 75.400000000000006 111.12 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.12 87.04 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 74.120000000000005 110.859 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -75.71 69.78 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 73.519999999999996 110.954 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.32 -41.98 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.686 -0.769 . . . . 74.310000000000002 112.498 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -87.63 -31.68 19.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 73.409999999999997 110.899 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.451 ' HB2' ' HB2' ' A' ' 5' ' ' ASN . . . -61.43 -36.81 81.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 54.130000000000003 111.119 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.7 mm -60.11 -34.05 55.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 71.420000000000002 111.183 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.02 -20.01 79.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 71.430000000000007 112.502 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 64.5 mt -84.16 -27.61 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.796 0.331 . . . . 74.540000000000006 111.169 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.2 mt -75.8 -39.39 38.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 53.140000000000001 111.158 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.47 -39.79 53.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 72.400000000000006 112.515 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -77.06 -39.45 49.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 72.319999999999993 110.905 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -54.09 -49.68 68.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 74.5 110.852 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.75 -31.34 66.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 72.299999999999997 111.064 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.15 -28.46 64.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 71.340000000000003 111.096 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.14 -27.0 62.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 65.340000000000003 111.109 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -82.29 -26.52 33.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 72.329999999999998 110.881 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.0 mt -75.81 -43.0 48.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 74.239999999999995 110.882 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.675 HG23 ' H ' ' A' ' 36' ' ' GLY . 11.4 t -70.5 -25.91 63.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 71.540000000000006 111.15 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.7 p 49.88 33.0 5.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 65.420000000000002 111.184 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.675 ' H ' HG23 ' A' ' 34' ' ' THR . . . -112.09 47.42 1.04 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.76 . . . . 42.43 112.467 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.52 150.94 11.87 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 61.229999999999997 112.492 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -94.45 163.28 13.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.737 0.304 . . . . 75.329999999999998 110.932 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -169.12 128.94 1.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 65.030000000000001 111.125 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -93.98 43.02 2.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 75.109999999999999 112.439 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -58.54 175.74 0.23 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.829 0.347 . . . . 75.420000000000002 110.899 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -69.14 -62.78 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 71.439999999999998 110.892 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 62.219999999999999 112.471 179.898 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.761 0.315 . . . . 65.400000000000006 110.87 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -140.54 113.29 8.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.447 . . . . 70.340000000000003 110.943 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -75.84 -66.83 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 75.510000000000005 110.894 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.1 -42.62 0.31 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 50.0 112.483 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.539 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 21.5 p30 -65.69 -26.56 67.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 74.040000000000006 110.842 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 131.02 36.22 0.35 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.699 -0.762 . . . . 70.140000000000001 112.486 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.533 HG22 HG23 ' A' ' 16' ' ' VAL . 21.3 t -89.6 137.6 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 55.229999999999997 111.122 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -123.8 111.92 16.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 71.239999999999995 110.83 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.3 m -136.78 106.99 6.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 63.100000000000001 110.875 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -115.46 -74.3 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 74.150000000000006 110.877 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -138.11 -41.45 0.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 73.450000000000003 110.9 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -56.83 -25.08 55.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 74.099999999999994 110.867 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 138.22 -101.06 0.31 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.742 -0.742 . . . . 65.140000000000001 112.486 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.22 165.76 35.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 62.219999999999999 110.897 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.4 m -160.32 40.47 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 64.400000000000006 110.843 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.533 HG23 HG22 ' A' ' 7' ' ' VAL . 2.8 p -50.75 110.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 72.129999999999995 111.116 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.15 86.11 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 73.200000000000003 110.809 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -75.62 69.68 2.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 74.519999999999996 110.964 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -144.12 -43.96 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.774 -0.727 . . . . 73.329999999999998 112.501 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -91.23 -26.81 18.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 74.510000000000005 110.879 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.539 ' HB2' ' HB2' ' A' ' 5' ' ' ASN . . . -70.7 -28.29 64.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 72.329999999999998 111.059 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.1 mm -57.26 -29.1 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 73.209999999999994 111.08 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.3 -24.37 71.2 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 72.010000000000005 112.468 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.4 mt -76.14 -36.18 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 71.129999999999995 111.15 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.6 mt -51.31 -30.04 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 53.130000000000003 111.121 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -104.97 -9.96 33.37 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.747 -0.739 . . . . 74.329999999999998 112.494 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -110.39 23.08 14.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 74.349999999999994 110.845 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -121.62 -34.34 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 71.310000000000002 110.866 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.07 -30.79 19.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 44.5 111.136 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.38 -42.35 92.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 53.399999999999999 111.076 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.59 -28.02 52.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 55.109999999999999 111.129 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -91.73 -34.3 14.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 73.450000000000003 110.916 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 mt -60.06 -34.42 73.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 72.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -79.19 -25.71 42.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 75.299999999999997 111.135 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.8 m -80.51 -46.68 15.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 75.540000000000006 111.148 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.79 91.64 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.709 -0.758 . . . . 33.009999999999998 112.468 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.61 126.89 3.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 72.400000000000006 112.465 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -69.34 149.8 48.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.789 0.328 . . . . 72.530000000000001 110.872 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -143.44 179.99 6.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 71.230000000000004 111.151 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -171.82 49.85 0.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.737 . . . . 74.299999999999997 112.495 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -145.87 -176.49 5.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.82 0.343 . . . . 72.030000000000001 110.923 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -92.63 66.29 4.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 54.520000000000003 110.915 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 64.140000000000001 112.547 179.909 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.786 0.327 . . . . 75.310000000000002 110.926 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -175.63 107.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 73.420000000000002 110.862 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -67.63 -63.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 74.400000000000006 110.868 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.18 -19.48 3.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.775 -0.726 . . . . 70.310000000000002 112.479 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.49 ' OD1' HG23 ' A' ' 7' ' ' VAL . 23.3 p30 -77.97 -22.43 49.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 64.439999999999998 110.84 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.96 -17.07 0.92 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 61.32 112.505 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.852 HG22 HG23 ' A' ' 16' ' ' VAL . 35.9 t -51.65 134.33 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 73.209999999999994 111.094 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 t -175.83 165.66 3.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 73.150000000000006 110.898 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 97.2 m -126.76 165.9 18.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 72.329999999999998 110.886 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -132.0 -68.09 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 71.129999999999995 110.899 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -142.02 -71.78 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 73.120000000000005 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.14 -62.39 1.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.864 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -154.47 -125.99 1.02 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 65.129999999999995 112.475 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.8 m -119.68 -171.65 2.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.796 0.331 . . . . 75.109999999999999 110.9 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.59 36.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 61.32 110.89 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.852 HG23 HG22 ' A' ' 7' ' ' VAL . 2.8 p -50.4 110.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 74.129999999999995 111.141 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.61 87.85 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 74.219999999999999 110.879 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -75.61 69.88 2.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 74.129999999999995 110.928 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -153.57 -39.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 62.020000000000003 112.502 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -111.55 26.0 11.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 65.439999999999998 110.918 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.52 -25.94 7.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 61.420000000000002 111.119 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.421 HD12 ' H ' ' A' ' 22' ' ' ILE . 4.9 mp -78.13 -28.65 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 65.109999999999999 111.094 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.78 -19.23 63.9 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.743 . . . . 62.340000000000003 112.477 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.4 mm -78.96 -25.26 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 75.329999999999998 111.083 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.7 mt -52.06 -35.7 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 63.030000000000001 111.095 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.76 -33.18 55.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 74.310000000000002 112.451 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.7 m120 -90.79 -32.09 16.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 33.109999999999999 110.914 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -64.27 -46.57 83.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 64.129999999999995 110.93 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.83 -26.15 67.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 43.109999999999999 111.081 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.06 -27.8 67.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 75.420000000000002 111.075 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.66 -26.61 63.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 72.319999999999993 111.077 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -90.56 -27.59 19.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 73.219999999999999 110.88 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.3 mt -84.22 -39.08 19.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 62.25 110.915 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.0 t -55.05 -32.85 62.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 72.420000000000002 111.151 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.6 t -104.48 35.16 2.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 71.340000000000003 111.113 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.81 -33.22 5.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 52.539999999999999 112.457 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.68 -52.1 0.76 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.785 -0.722 . . . . 71.329999999999998 112.477 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.4 mmtt -115.1 166.92 11.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 72.150000000000006 110.914 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -107.72 157.69 17.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 74.450000000000003 111.149 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.87 84.83 0.37 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.694 -0.765 . . . . 33.43 112.45 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.1 p-90 -170.92 162.4 7.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.815 0.34 . . . . 74.140000000000001 110.963 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt -58.85 -60.79 3.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 71.140000000000001 110.863 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.722 . . . . 50.219999999999999 112.505 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.787 0.327 . . . . 74.230000000000004 110.937 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -115.22 114.96 25.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 62.340000000000003 110.962 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -91.49 -61.39 1.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 72.040000000000006 110.95 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.99 -36.86 0.66 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 31.329999999999998 112.438 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -63.79 -27.15 68.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 71.140000000000001 110.869 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 131.11 36.01 0.36 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 72.25 112.473 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.808 HG22 HG23 ' A' ' 16' ' ' VAL . 21.4 t -90.35 148.73 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.357 . . . . 73.209999999999994 111.155 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 t -147.36 125.97 12.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 63.210000000000001 110.845 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 17.5 t -173.42 129.44 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 72.439999999999998 110.908 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -138.64 -61.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 74.349999999999994 110.842 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -138.48 -51.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 64.230000000000004 110.877 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -51.98 -68.06 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 71.319999999999993 110.923 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -172.53 -170.47 36.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 72.140000000000001 112.509 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.6 m -120.48 158.48 27.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 61.420000000000002 110.869 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.54 37.26 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 73.310000000000002 110.831 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.808 HG23 HG22 ' A' ' 7' ' ' VAL . 2.7 p -50.4 110.74 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 64.310000000000002 111.134 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.61 86.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 43.399999999999999 110.859 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -75.59 69.95 2.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 72.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.18 -54.45 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 72.310000000000002 112.453 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -87.63 -25.31 23.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 65.219999999999999 110.927 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.65 -25.18 63.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 73.230000000000004 111.136 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.505 ' HA ' HD12 ' A' ' 25' ' ' ILE . 45.3 mm -55.92 -27.46 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 75.150000000000006 111.152 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.66 -19.78 75.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 73.25 112.479 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.6 mt -88.47 -30.04 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.742 0.306 . . . . 64.540000000000006 111.08 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 22' ' ' ILE . 74.4 mt -54.7 -31.13 23.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 73.510000000000005 111.157 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.08 -19.81 74.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 74.299999999999997 112.479 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -91.94 -36.2 13.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.348 . . . . 71.439999999999998 110.843 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -53.54 -62.12 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 74.109999999999999 110.897 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.96 79.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 32.329999999999998 111.144 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.4 -25.74 62.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.439999999999998 111.09 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.89 -33.9 71.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 63.240000000000002 111.078 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -74.54 -32.95 62.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 73.450000000000003 110.909 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.86 -26.55 67.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 64.120000000000005 110.934 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.6 p -87.35 -24.98 24.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 73.019999999999996 111.135 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.8 m -113.24 65.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 72.219999999999999 111.154 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 112.22 88.42 1.77 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 63.509999999999998 112.446 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.91 140.56 15.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.718 -0.753 . . . . 63.119999999999997 112.465 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.2 153.3 23.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.747 0.308 . . . . 71.239999999999995 110.911 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 56.32 34.79 24.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 34.32 111.106 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -95.55 26.89 17.77 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.769 -0.729 . . . . 71.540000000000006 112.502 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 19.4 p-90 -121.9 -37.79 2.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.77 0.319 . . . . 74.439999999999998 110.907 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.5 ttmt -151.08 -71.38 0.17 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 75.129999999999995 110.899 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 65.239999999999995 112.519 179.929 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.788 0.328 . . . . 74.319999999999993 110.942 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -99.34 130.53 45.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 75.5 110.891 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -102.13 -47.09 4.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 71.450000000000003 110.952 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.26 -32.38 0.36 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.799 -0.715 . . . . 13.35 112.495 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -88.16 -67.76 0.81 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.855 0.36 . . . . 61.43 110.913 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 179.49 37.57 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 62.210000000000001 112.475 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.603 HG13 ' HB ' ' A' ' 16' ' ' VAL . 19.3 t -82.55 151.7 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 71.530000000000001 111.115 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.7 p -179.5 98.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 74.150000000000006 110.911 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.32 133.28 52.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 62.299999999999997 110.886 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -138.32 -73.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 51.009999999999998 110.87 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm -153.68 -56.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 75.420000000000002 110.872 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -51.83 -62.89 1.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 74.329999999999998 110.86 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.77 169.82 39.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 51.329999999999998 112.467 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.6 p -143.9 -175.6 4.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 72.540000000000006 110.892 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.12 39.91 0.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 75.040000000000006 110.861 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.603 ' HB ' HG13 ' A' ' 7' ' ' VAL . 2.4 p -47.91 109.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 63.420000000000002 111.127 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -68.53 87.73 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 73.010000000000005 110.868 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -77.04 63.09 2.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 75.239999999999995 110.912 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.52 -41.6 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 60.409999999999997 112.536 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.06 26.19 10.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 74.400000000000006 110.907 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.76 -36.55 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 63.43 111.114 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 51.3 mm -58.35 -31.14 42.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 64.109999999999999 111.121 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.22 -0.71 90.31 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 55.509999999999998 112.511 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.3 mm -102.91 -52.85 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.788 0.328 . . . . 71.140000000000001 111.112 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.0 mt -55.26 -30.14 24.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 73.129999999999995 111.105 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.09 14.78 62.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.699 -0.762 . . . . 74.239999999999995 112.501 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -125.96 -37.53 2.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 73.230000000000004 110.878 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -66.93 -26.84 67.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 64.209999999999994 110.88 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.11 23.16 14.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 43.109999999999999 111.114 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.1 -32.06 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 62.240000000000002 111.06 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.04 -25.32 63.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 72.530000000000001 111.086 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -86.62 -27.06 24.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 73.540000000000006 110.872 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.5 mt -70.78 -62.65 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 73.140000000000001 110.951 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.405 HG23 ' H ' ' A' ' 36' ' ' GLY . 2.9 t -54.46 -27.18 35.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 73.439999999999998 111.12 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 m 57.37 31.0 19.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 71.219999999999999 111.168 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.405 ' H ' HG23 ' A' ' 34' ' ' THR . . . -112.26 19.54 22.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 75.040000000000006 112.524 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -112.56 95.73 0.8 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.779 -0.725 . . . . 45.229999999999997 112.498 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -167.68 108.79 0.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.77 0.319 . . . . 63.119999999999997 110.885 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.13 40.11 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 71.230000000000004 111.115 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.53 -70.75 2.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 51.100000000000001 112.5 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 24.6 p-90 -118.88 38.56 3.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.867 0.365 . . . . 73.329999999999998 110.928 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? 56.31 28.54 13.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 72.439999999999998 110.896 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 43.109999999999999 112.471 179.927 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.788 0.327 . . . . 74.040000000000006 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -109.71 90.58 3.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 73.219999999999999 110.903 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -61.75 -39.66 92.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 65.219999999999999 110.889 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.18 -8.09 28.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 61.210000000000001 112.487 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -94.4 20.37 8.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.877 0.37 . . . . 72.340000000000003 110.862 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 97.27 29.77 7.74 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 25.32 112.501 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.878 HG22 HG23 ' A' ' 16' ' ' VAL . 6.4 t -106.3 155.54 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.875 0.369 . . . . 73.310000000000002 111.107 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -116.47 -77.09 0.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 63.43 110.841 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 17.0 m 50.29 49.7 20.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 75.439999999999998 110.874 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -51.37 -58.96 4.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 64.109999999999999 110.878 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -151.82 -54.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 72.340000000000003 110.886 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -133.9 19.05 3.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 74.239999999999995 110.906 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -138.39 107.11 0.55 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.765 -0.731 . . . . 64.120000000000005 112.491 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 74.4 m -108.08 148.26 30.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.861 0.363 . . . . 64.519999999999996 110.852 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 p -153.15 38.68 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 72.430000000000007 110.825 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.878 HG23 HG22 ' A' ' 7' ' ' VAL . 2.6 p -49.59 110.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.111 -0.495 . . . . 45.149999999999999 111.13 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -71.23 87.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 74.349999999999994 110.845 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -76.1 67.92 2.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 73.109999999999999 110.895 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -146.57 -41.49 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.723 -0.751 . . . . 72.530000000000001 112.497 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -84.57 -26.46 27.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 53.140000000000001 110.918 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.434 ' HA ' HD13 ' A' ' 24' ' ' ILE . . . -81.64 -27.63 34.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.120000000000005 111.054 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.428 ' HA ' HD12 ' A' ' 25' ' ' ILE . 50.3 mm -52.85 -46.71 52.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 71.439999999999998 111.121 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.19 -33.22 37.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 75.510000000000005 112.512 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.439 HD12 ' H ' ' A' ' 24' ' ' ILE . 5.4 mp -82.75 -37.41 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 61.219999999999999 111.123 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 22' ' ' ILE . 54.6 mt -63.79 -40.5 89.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 71.209999999999994 111.154 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.83 -27.14 74.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 31.030000000000001 112.462 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -82.43 -45.33 14.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 71.430000000000007 110.89 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -57.48 -44.69 85.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 74.140000000000001 110.897 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.2 -29.53 61.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 62.32 111.103 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.457 ' HA ' HD13 ' A' ' 33' ' ' LEU . . . -58.11 -28.95 65.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 61.509999999999998 111.102 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.8 -29.64 41.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 55.539999999999999 111.103 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -86.68 -27.42 23.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 50.409999999999997 110.903 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 30' ' ' ALA . 9.4 mp -65.13 -35.69 81.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 54.530000000000001 110.909 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.516 HG23 HG23 ' A' ' 35' ' ' THR . 15.3 t -82.02 -25.05 35.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 64.030000000000001 111.131 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.516 HG23 HG23 ' A' ' 34' ' ' THR . 35.5 p -105.17 61.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 63.439999999999998 111.117 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.48 -80.97 0.32 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 74.129999999999995 112.439 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.01 151.67 19.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 75.239999999999995 112.506 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.13 -32.85 4.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.766 0.317 . . . . 74.420000000000002 110.854 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.09 28.62 3.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 55.32 111.125 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 56.69 47.87 81.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 74.129999999999995 112.529 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -143.97 168.67 19.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 75.530000000000001 110.942 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -81.14 84.97 6.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 71.420000000000002 110.901 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.708 -0.758 . . . . 74.430000000000007 112.478 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.788 0.328 . . . . 62.310000000000002 110.962 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -115.59 84.07 2.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 65.209999999999994 110.92 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -60.95 -26.07 67.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 63.5 110.925 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.53 -28.81 7.95 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.747 . . . . 74.420000000000002 112.452 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.62 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 20.3 p30 -67.54 -26.4 66.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.882 0.372 . . . . 72.209999999999994 110.902 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.04 36.79 0.3 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 72.319999999999993 112.486 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.961 HG22 HG23 ' A' ' 16' ' ' VAL . 20.0 t -92.5 150.5 3.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 72.310000000000002 111.101 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.2 t -155.77 131.06 9.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 65.129999999999995 110.86 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.5 t -173.83 122.32 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 64.400000000000006 110.906 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -136.6 -74.12 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 63.109999999999999 110.895 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -122.71 -33.75 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 71.219999999999999 110.859 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -68.83 -66.83 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 74.540000000000006 110.854 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.99 178.84 46.1 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.663 -0.779 . . . . 75.219999999999999 112.46 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.2 m -105.64 150.0 25.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 72.010000000000005 110.886 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.6 m -153.01 39.59 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.530000000000001 110.866 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.961 HG23 HG22 ' A' ' 7' ' ' VAL . 2.5 p -50.01 110.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 63.409999999999997 111.107 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -69.34 86.88 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 70.140000000000001 110.87 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -77.32 60.72 2.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 73.219999999999999 110.903 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.26 -42.06 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 61.100000000000001 112.543 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.34 22.47 12.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 71.530000000000001 110.905 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.62 ' HB2' ' HB2' ' A' ' 5' ' ' ASN . . . -118.38 -29.35 5.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 34.130000000000003 111.121 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.8 mm -51.32 145.64 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 71.150000000000006 111.123 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.61 -42.38 3.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 73.010000000000005 112.491 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 53.8 mt -72.42 -23.89 21.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.783 0.325 . . . . 73.349999999999994 111.095 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.9 mt -86.34 -41.18 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 74.329999999999998 111.133 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.48 -19.63 58.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 72.120000000000005 112.477 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -102.31 -32.61 9.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 73.010000000000005 110.935 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -57.49 -50.4 73.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 62.32 110.892 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.44 -31.88 71.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 65.239999999999995 111.141 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.18 -31.66 69.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 73.230000000000004 111.126 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.42 -29.14 65.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 74.129999999999995 111.074 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -85.43 -29.12 24.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 63.43 110.844 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.66 -34.29 77.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 74.349999999999994 110.851 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.3 t -87.91 -26.33 22.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 64.409999999999997 111.164 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.5 m 64.36 44.39 4.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 75.319999999999993 111.14 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -133.08 -48.07 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 53.119999999999997 112.503 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.99 -143.02 2.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.693 -0.765 . . . . 74.120000000000005 112.497 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -56.28 115.56 2.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.77 0.319 . . . . 52.140000000000001 110.905 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.73 136.6 39.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 71.409999999999997 111.112 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.28 -29.92 3.3 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.763 -0.732 . . . . 64.540000000000006 112.48 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 -59.55 170.99 0.92 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.856 0.36 . . . . 64.349999999999994 110.887 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -55.69 149.17 14.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 74.040000000000006 110.912 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 74.120000000000005 112.465 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 40.6 tttt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.8 0.333 . . . . 63.149999999999999 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -139.81 102.32 4.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 75.030000000000001 110.902 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -69.17 -32.75 72.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 72.299999999999997 110.96 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.77 -45.32 1.3 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.709 -0.758 . . . . 34.219999999999999 112.48 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -57.14 -24.86 57.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.82 0.343 . . . . 71.310000000000002 110.872 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.28 36.65 0.29 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 72.439999999999998 112.464 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.7 t -98.68 136.09 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.779 0.323 . . . . 72.530000000000001 111.172 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.2 t -115.72 112.34 21.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 72.120000000000005 110.847 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 98.6 m -134.0 155.04 50.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 71.420000000000002 110.902 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -123.71 -75.39 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 70.230000000000004 110.904 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.18 -40.09 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 72.010000000000005 110.926 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.33 8.26 4.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 51.32 110.854 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -138.68 138.65 9.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.698 -0.763 . . . . 74.209999999999994 112.484 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -120.37 -178.46 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 74.340000000000003 110.858 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.31 93.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 70.329999999999998 110.822 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 p -113.66 113.22 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 71.219999999999999 111.119 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.1 88.61 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 72.120000000000005 110.829 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -79.43 62.19 3.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 64.430000000000007 110.889 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -136.53 -42.9 0.1 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 73.239999999999995 112.478 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -99.54 27.65 5.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.811 0.339 . . . . 72.200000000000003 110.913 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.464 ' HA ' HD13 ' A' ' 24' ' ' ILE . . . -121.14 -38.34 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 62.219999999999999 111.094 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.8 mm -53.12 -43.18 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 65.510000000000005 111.162 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.12 -32.65 57.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.723 . . . . 64.129999999999995 112.512 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.464 HD13 ' HA ' ' A' ' 21' ' ' ALA . 5.4 mp -82.02 -43.79 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 72.140000000000001 111.137 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.3 mm -57.89 -29.8 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 65.319999999999993 111.105 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.48 -38.5 94.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 70.109999999999999 112.499 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -73.09 -27.47 61.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.347 . . . . 73.420000000000002 110.841 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -63.99 -58.47 6.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 75.530000000000001 110.884 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.04 -29.31 63.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 55.409999999999997 111.083 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.465 ' O ' HG22 ' A' ' 34' ' ' THR . . . -56.61 -25.73 53.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 50.439999999999998 111.142 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.77 -29.3 66.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 62.240000000000002 111.066 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.439 ' O ' HG23 ' A' ' 35' ' ' THR . 10.0 m-80 -76.87 -32.37 57.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 63.200000000000003 110.9 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.5 mt -75.88 -42.21 49.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 63.43 110.886 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 30' ' ' ALA . 8.1 t -76.56 -25.16 53.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 61.219999999999999 111.122 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 32' ' ' ASN . 5.9 p 46.2 35.68 2.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 75.430000000000007 111.146 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.445 ' H ' HG23 ' A' ' 34' ' ' THR . . . -99.67 -33.77 5.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 54.109999999999999 112.47 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.93 -113.09 0.32 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.727 -0.749 . . . . 64.219999999999999 112.476 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -152.23 126.91 9.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.773 0.32 . . . . 75.340000000000003 110.909 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -151.87 164.95 36.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 73.140000000000001 111.152 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.12 72.79 0.47 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 50.210000000000001 112.484 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -59.7 163.17 4.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.775 0.322 . . . . 73.25 110.916 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp -55.92 -70.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 72.239999999999995 110.879 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 72.129999999999995 112.522 179.954 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.9 tptm . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.772 0.32 . . . . 71.25 110.837 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -133.81 99.83 4.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 63.25 110.896 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -62.87 -48.31 79.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 64.329999999999998 110.943 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.78 30.13 1.18 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 72.329999999999998 112.534 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -128.66 -63.08 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 75.140000000000001 110.902 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.47 22.89 0.25 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 62.240000000000002 112.514 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.599 HG22 ' HA ' ' A' ' 16' ' ' VAL . 3.0 t -101.97 161.53 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 74.099999999999994 111.115 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.417 ' N ' HG12 ' A' ' 7' ' ' VAL . 1.0 OUTLIER 65.45 94.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 75.430000000000007 110.902 -179.807 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.8 p -91.82 -170.36 2.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 61.310000000000002 110.893 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -110.89 -56.23 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 72.239999999999995 110.913 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -152.35 -40.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 74.319999999999993 110.868 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -50.52 -73.69 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 65.329999999999998 110.898 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.41 152.43 14.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 44.409999999999997 112.451 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.3 m -101.02 177.79 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.332 . . . . 74.150000000000006 110.936 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -171.43 54.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 74.209999999999994 110.836 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.599 ' HA ' HG22 ' A' ' 7' ' ' VAL . 2.2 p -47.76 107.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 72.129999999999995 111.13 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.82 93.62 0.08 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 75.329999999999998 110.838 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 57.1 m95 -83.25 64.52 7.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 61.219999999999999 110.914 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -140.25 -49.01 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.751 . . . . 72.129999999999995 112.487 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -101.53 26.12 7.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.779 0.324 . . . . 64.120000000000005 110.933 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.87 -28.73 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 53.5 111.119 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.431 HD12 ' H ' ' A' ' 22' ' ' ILE . 4.9 mp -76.94 -25.18 15.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 62.240000000000002 111.142 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.52 4.06 86.49 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.75 -0.738 . . . . 74.120000000000005 112.504 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 61.4 mt -112.99 -32.24 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 63.530000000000001 111.162 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.0 pt -59.38 -30.38 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 60.43 111.144 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.94 -23.49 38.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 53.130000000000003 112.484 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -86.35 -39.86 16.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 75.349999999999994 110.923 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -53.62 -57.81 9.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 64.299999999999997 110.866 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.618 ' O ' HD12 ' A' ' 33' ' ' LEU . . . -64.87 -35.43 81.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 64.400000000000006 111.085 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.73 -27.99 20.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 62.509999999999998 111.129 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.73 -44.93 84.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 63.310000000000002 111.086 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -82.09 -24.83 34.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 55.399999999999999 110.897 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.618 HD12 ' O ' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -65.95 -54.0 31.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 63.340000000000003 110.873 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.7 t -51.8 -42.49 62.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 70.329999999999998 111.111 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.8 t -79.32 -21.64 45.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 73.430000000000007 111.12 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.26 -81.99 0.26 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.738 -0.744 . . . . 54.32 112.456 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 152.29 -159.76 28.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.774 -0.726 . . . . 73.319999999999993 112.529 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -132.94 -50.06 0.88 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.809 0.338 . . . . 71.120000000000005 110.904 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -125.24 164.52 20.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 72.219999999999999 111.112 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -165.73 32.96 0.23 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 74.409999999999997 112.505 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -56.35 177.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.348 . . . . 71.430000000000007 110.94 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -117.28 75.17 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 74.319999999999993 110.92 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 72.120000000000005 112.497 179.92 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.833 0.349 . . . . 74.510000000000005 110.866 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -86.73 95.27 9.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.942 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -72.44 -37.05 68.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 74.129999999999995 110.93 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.91 21.63 7.35 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.763 -0.732 . . . . 70.439999999999998 112.514 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.416 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 2.3 p-10 -124.25 26.02 7.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 74.420000000000002 110.845 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.31 19.27 19.13 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.734 -0.745 . . . . 51.030000000000001 112.47 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.573 HG22 HG23 ' A' ' 16' ' ' VAL . 5.6 t -90.94 142.02 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.885 0.374 . . . . 73.430000000000007 111.12 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.8 t -151.06 125.73 9.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 42.219999999999999 110.849 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.6 p -179.87 176.13 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 52.039999999999999 110.872 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -144.35 -68.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 61.329999999999998 110.833 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -162.14 49.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 73.109999999999999 110.861 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.0 pttm -150.86 -48.59 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 73.25 110.88 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -170.18 156.72 27.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.687 -0.768 . . . . 41.240000000000002 112.464 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.3 m -120.58 150.01 41.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 74.409999999999997 110.874 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.65 42.62 1.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 65.019999999999996 110.87 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.573 HG23 HG22 ' A' ' 7' ' ' VAL . 1.6 p -46.7 108.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 71.109999999999999 111.133 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.72 94.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 62.240000000000002 110.873 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 41.5 m95 -86.55 65.49 9.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 61.420000000000002 110.901 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.22 -42.84 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.75 -0.738 . . . . 63.520000000000003 112.493 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -89.65 -31.11 17.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 72.140000000000001 110.916 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.416 ' HB2' ' HB2' ' A' ' 5' ' ' ASN . . . -73.72 -26.86 60.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 71.230000000000004 111.091 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 51.4 mm -58.57 -28.27 36.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 75.25 111.126 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.78 19.72 51.27 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 52.329999999999998 112.519 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.0 mm -111.8 -28.39 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.344 . . . . 61.329999999999998 111.154 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 22.5 pt -62.74 -29.66 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 64.040000000000006 111.132 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.485 ' O ' ' HB2' ' A' ' 30' ' ' ALA . . . -58.74 -32.47 69.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.692 -0.766 . . . . 74.409999999999997 112.513 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -80.04 -33.21 39.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 72.329999999999998 110.913 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -73.26 -49.28 28.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 75.439999999999998 110.906 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.69 -29.55 68.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 73.420000000000002 111.154 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.665 ' O ' HG22 ' A' ' 34' ' ' THR . . . -54.19 -38.8 66.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 74.430000000000007 111.119 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.68 -26.29 66.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 71.340000000000003 111.092 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -81.63 -27.31 34.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 62.219999999999999 110.857 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.2 mt -79.91 -49.96 11.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 72.140000000000001 110.905 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.665 HG22 ' O ' ' A' ' 30' ' ' ALA . 5.0 t -76.38 -26.34 55.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 62.229999999999997 111.114 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.5 p 49.87 38.17 15.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 43.210000000000001 111.177 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.6 -60.31 4.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 65.219999999999999 112.469 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.59 57.4 1.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 55.25 112.505 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -127.32 154.3 45.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.347 . . . . 71.340000000000003 110.922 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -165.77 153.68 10.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 72.099999999999994 111.14 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.54 58.76 0.46 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.746 . . . . 61.549999999999997 112.47 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -133.43 35.67 3.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.851 0.357 . . . . 75.120000000000005 110.959 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? 57.91 48.4 13.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 65.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.781 -0.723 . . . . 71.319999999999993 112.495 179.928 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.833 0.349 . . . . 74.230000000000004 110.92 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -158.47 132.47 7.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 74.420000000000002 110.882 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -110.08 -65.13 1.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 74.540000000000006 110.935 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.49 -30.7 0.36 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.714 -0.755 . . . . 72.420000000000002 112.465 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.607 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 18.3 p30 -67.01 -26.5 66.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.899 0.38 . . . . 74.530000000000001 110.858 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 133.05 36.84 0.26 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.721 -0.752 . . . . 64.140000000000001 112.442 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.713 HG22 HG23 ' A' ' 16' ' ' VAL . 20.2 t -83.93 149.16 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 74.209999999999994 111.127 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.4 t -158.94 140.44 13.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 52.450000000000003 110.88 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.3 m -140.2 152.66 46.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 43.299999999999997 110.857 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -137.87 -75.18 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 75.140000000000001 110.881 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.33 -40.67 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 74.120000000000005 110.897 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -58.91 -44.31 91.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 51.409999999999997 110.925 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.62 -70.8 0.2 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 74.340000000000003 112.481 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -179.27 -175.14 0.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.872 0.367 . . . . 71.239999999999995 110.884 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 p -157.8 38.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 45.219999999999999 110.838 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.713 HG23 HG22 ' A' ' 7' ' ' VAL . 3.0 p -51.16 112.06 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 62.0 111.14 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.37 85.92 1.48 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 75.450000000000003 110.861 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 26.9 m95 -75.6 69.43 2.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.212 -0.449 . . . . 63.130000000000003 110.962 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.01 -39.24 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 60.119999999999997 112.493 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -98.06 -25.33 14.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 72.140000000000001 110.873 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.607 ' HB2' ' CB ' ' A' ' 5' ' ' ASN . . . -67.08 -34.81 78.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 45.32 111.083 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.3 mm -53.1 -39.47 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 75.230000000000004 111.164 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.94 -22.15 68.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.75 . . . . 73.200000000000003 112.521 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.2 mt -80.01 -33.13 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 62.399999999999999 111.143 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.3 mm -51.73 -30.2 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 64.200000000000003 111.119 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.79 -55.18 11.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.736 . . . . 74.319999999999993 112.518 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -51.9 -43.52 63.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.361 . . . . 54.219999999999999 110.86 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -59.55 -57.67 11.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 43.119999999999997 110.914 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.48 -18.82 60.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 53.229999999999997 111.117 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.49 ' HA ' HD22 ' A' ' 33' ' ' LEU . . . -90.45 12.13 19.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 54.520000000000003 111.124 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -105.21 -15.61 15.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 70.420000000000002 111.134 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -113.58 -18.57 11.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 62.340000000000003 110.864 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.592 HD23 ' N ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -60.73 -19.54 59.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 65.310000000000002 110.906 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.592 ' N ' HD23 ' A' ' 33' ' ' LEU . 9.8 t -116.45 -30.42 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 72.439999999999998 111.155 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 m 61.17 41.79 13.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 61.509999999999998 111.097 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.459 ' H ' HG23 ' A' ' 34' ' ' THR . . . -95.86 -25.76 12.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 63.520000000000003 112.47 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -94.15 -133.06 6.77 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.783 -0.722 . . . . 72.349999999999994 112.48 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -96.28 135.9 37.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.827 0.346 . . . . 53.450000000000003 110.903 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.15 175.77 5.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 70.319999999999993 111.116 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.79 -70.12 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 72.239999999999995 112.508 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -120.21 -178.04 3.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.766 0.317 . . . . 73.519999999999996 110.942 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.4 tttm -102.54 105.58 16.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 71.239999999999995 110.924 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 63.450000000000003 112.52 179.922 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.7 tttt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.742 0.306 . . . . 71.349999999999994 110.893 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -170.63 103.73 0.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 73.450000000000003 110.873 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -74.07 -47.87 33.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 74.140000000000001 110.958 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.28 21.3 3.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 72.019999999999996 112.474 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -116.99 -13.69 10.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 74.150000000000006 110.933 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 159.27 -21.51 0.29 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.727 -0.749 . . . . 54.149999999999999 112.513 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.769 HG13 ' HA ' ' A' ' 15' ' ' SER . 78.9 t -48.66 122.21 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.784 0.326 . . . . 74.530000000000001 111.126 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -176.58 169.28 2.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 63.030000000000001 110.876 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.6 m -50.64 150.85 2.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 75.310000000000002 110.902 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -140.8 -49.22 0.43 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 71.239999999999995 110.894 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.23 -69.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 72.329999999999998 110.872 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -117.84 -32.19 4.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 71.140000000000001 110.904 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -120.7 165.8 13.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.782 -0.723 . . . . 42.240000000000002 112.49 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.1 m -116.5 100.34 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.34 . . . . 64.030000000000001 110.886 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.769 ' HA ' HG13 ' A' ' 7' ' ' VAL . 1.1 m -178.95 67.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 62.200000000000003 110.833 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -149.68 115.6 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 73.420000000000002 111.121 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -69.88 87.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 62.329999999999998 110.854 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.1 m95 -74.18 70.93 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 75.200000000000003 110.896 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.57 -44.37 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.746 . . . . 74.439999999999998 112.5 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.525 ' NZ ' HD11 ' A' ' 24' ' ' ILE . 5.5 tmtt? -97.01 -26.74 14.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 73.200000000000003 110.902 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.29 -24.7 67.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 72.439999999999998 111.076 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.453 HD12 ' H ' ' A' ' 22' ' ' ILE . 4.9 mp -76.71 -25.17 15.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 74.120000000000005 111.157 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.94 -18.82 64.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.736 -0.745 . . . . 74.340000000000003 112.517 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.525 HD11 ' NZ ' ' A' ' 20' ' ' LYS . 50.7 mm -77.44 -37.48 25.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.829 0.347 . . . . 55.530000000000001 111.187 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 45.3 mm -53.5 -32.54 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 72.209999999999994 111.163 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.35 -48.14 54.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 75.209999999999994 112.492 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -89.36 -27.63 20.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 71.340000000000003 110.917 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -62.89 -43.78 97.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 61.229999999999997 110.902 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.99 -32.25 39.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 43.299999999999997 111.107 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.61 -26.85 62.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.299999999999997 111.057 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.47 -26.57 61.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 54.140000000000001 111.082 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -91.43 -28.35 17.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 31.309999999999999 110.873 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.83 -26.04 67.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 72.230000000000004 110.896 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.1 t -116.9 -29.73 5.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 74.099999999999994 111.124 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -120.5 44.77 2.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 62.329999999999998 111.136 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -155.76 92.85 0.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.751 . . . . 44.5 112.491 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.54 -86.22 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.732 . . . . 61.43 112.49 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -102.99 142.35 34.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.792 0.33 . . . . 74.209999999999994 110.915 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -107.19 165.26 11.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 54.109999999999999 111.1 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 176.94 86.59 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.692 -0.766 . . . . 63.549999999999997 112.431 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.9 p90 -58.73 -22.29 57.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.879 0.371 . . . . 74.010000000000005 110.934 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -170.38 -66.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 72.340000000000003 110.906 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 70.420000000000002 112.478 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.78 0.324 . . . . 71.239999999999995 110.873 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -169.17 117.89 0.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 73.310000000000002 110.948 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -83.77 -51.11 7.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 74.329999999999998 110.906 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.18 -33.48 2.79 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 71.319999999999993 112.462 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.477 ' OD1' HG23 ' A' ' 7' ' ' VAL . 19.9 p30 -61.69 -24.81 67.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 50.100000000000001 110.894 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.63 36.49 0.29 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.761 -0.733 . . . . 74.129999999999995 112.499 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.477 HG23 ' OD1' ' A' ' 5' ' ' ASN . 20.8 t -102.7 133.79 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.331 . . . . 71.519999999999996 111.085 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -112.67 103.54 11.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 52.140000000000001 110.845 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 65.6 m -131.83 117.16 18.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 73.25 110.884 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -130.43 -74.4 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 61.109999999999999 110.856 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.9 pttm -132.49 -44.65 0.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 73.310000000000002 110.901 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -54.37 -27.46 36.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 51.43 110.847 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.27 -79.32 0.32 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.73 . . . . 63.009999999999998 112.493 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.89 171.1 15.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 61.310000000000002 110.908 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.78 34.72 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 71.120000000000005 110.85 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.478 ' O ' HG13 ' A' ' 16' ' ' VAL . 4.0 p -52.42 111.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 64.409999999999997 111.128 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.95 -21.76 64.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 73.400000000000006 110.878 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.623 ' HZ3' HD11 ' A' ' 25' ' ' ILE . 27.0 m95 58.77 60.04 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 63.420000000000002 110.914 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.9 -38.35 0.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 64.510000000000005 112.497 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -116.76 24.41 11.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.762 0.315 . . . . 75.319999999999993 110.89 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.476 ' HB2' ' CG ' ' A' ' 5' ' ' ASN . . . -119.47 -30.8 4.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 74.200000000000003 111.135 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.527 HD12 ' H ' ' A' ' 22' ' ' ILE . 5.1 mp -60.6 143.91 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 70.109999999999999 111.128 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.3 -21.88 22.55 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 75.430000000000007 112.528 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.2 mt -96.52 -24.01 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.813 0.34 . . . . 73.299999999999997 111.113 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.623 HD11 ' HZ3' ' A' ' 18' ' ' TRP . 56.7 mt -51.68 -38.84 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 64.0 111.102 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.12 -28.58 33.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 74.010000000000005 112.483 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -68.13 -29.57 68.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 72.230000000000004 110.9 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -60.44 -50.3 74.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 74.140000000000001 110.872 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.96 -33.65 70.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 74.420000000000002 111.127 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.8 -46.28 74.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 72.310000000000002 111.102 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.29 -26.59 63.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 72.439999999999998 111.152 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -87.12 -30.68 20.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 65.540000000000006 110.885 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 mt -69.99 -48.8 56.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 65.049999999999997 110.927 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.688 HG23 HG23 ' A' ' 35' ' ' THR . 12.9 t -55.04 -28.9 55.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 72.030000000000001 111.102 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.688 HG23 HG23 ' A' ' 34' ' ' THR . 24.3 p -104.55 25.36 10.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 75.420000000000002 111.149 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -109.2 -47.1 0.89 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 64.319999999999993 112.51 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.47 -114.57 0.95 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.788 -0.72 . . . . 64.219999999999999 112.525 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -110.09 166.42 10.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.752 0.31 . . . . 73.430000000000007 110.92 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -129.27 -178.57 4.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 74.430000000000007 111.082 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -133.04 59.45 0.68 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.709 -0.758 . . . . 62.149999999999999 112.505 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -57.72 -30.87 65.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.347 . . . . 63.439999999999998 110.934 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.61 -170.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 63.350000000000001 110.849 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 54.109999999999999 112.497 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.783 0.325 . . . . 73.230000000000004 110.878 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -164.48 118.42 1.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 72.239999999999995 110.927 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -87.07 -40.9 14.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 74.219999999999999 110.925 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.63 -21.45 5.06 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 71.209999999999994 112.478 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.436 ' C ' ' HB2' ' A' ' 21' ' ' ALA . 1.0 OUTLIER -95.19 22.65 6.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.37 . . . . 70.109999999999999 110.913 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.49 35.17 48.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.739 . . . . 62.100000000000001 112.479 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.651 HG22 ' HB ' ' A' ' 16' ' ' VAL . 3.4 t -96.78 141.89 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.856 0.36 . . . . 64.230000000000004 111.111 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.9 t -135.18 110.14 8.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 71.030000000000001 110.848 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.2 p -179.47 -175.56 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 73.049999999999997 110.899 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.13 -61.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 64.230000000000004 110.85 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -142.44 -40.63 0.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 54.100000000000001 110.957 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.11 -64.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 71.010000000000005 110.921 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -172.99 153.24 17.91 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 34.229999999999997 112.507 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.03 148.3 24.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.363 . . . . 74.450000000000003 110.889 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 p -160.69 55.58 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.349999999999994 110.858 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.651 ' HB ' HG22 ' A' ' 7' ' ' VAL . 1.7 p -49.1 109.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 72.010000000000005 111.148 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.94 -25.38 29.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 73.319999999999993 110.82 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.5 m95 59.18 40.4 21.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 63.399999999999999 110.91 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -120.83 -32.53 1.08 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 74.219999999999999 112.507 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -94.49 18.47 11.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.321 . . . . 71.219999999999999 110.868 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.436 ' HB2' ' C ' ' A' ' 5' ' ' ASN . . . -122.74 -34.31 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 51.420000000000002 111.081 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.0 mm -51.17 145.29 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 65.140000000000001 111.121 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.75 -38.94 3.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 73.239999999999995 112.501 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.6 mt -81.55 -25.51 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.768 0.318 . . . . 74.430000000000007 111.104 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 61.1 mt -62.64 -37.33 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 52.409999999999997 111.13 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.28 -38.31 18.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.79 -0.719 . . . . 71.200000000000003 112.478 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 16.6 m120 -59.57 -41.56 90.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 54.350000000000001 110.926 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -57.38 -46.83 82.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 74.340000000000003 110.905 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.64 -26.26 66.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 65.109999999999999 111.101 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 27' ' ' ASN . . . -58.99 -29.95 67.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 63.350000000000001 111.139 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.41 -26.36 67.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 75.030000000000001 111.098 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -77.68 -30.13 51.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 74.519999999999996 110.862 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.5 mt -66.26 -30.47 70.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 73.310000000000002 110.932 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 t -101.09 -26.28 13.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 60.130000000000003 111.125 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.1 m -128.0 70.34 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.530000000000001 111.121 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -106.5 -98.52 2.57 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.741 -0.742 . . . . 70.549999999999997 112.534 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.02 -61.68 0.42 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 44.43 112.513 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -112.59 177.72 4.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.309 . . . . 52.299999999999997 110.897 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.73 151.08 45.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 74.340000000000003 111.119 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.2 -34.12 55.61 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 73.239999999999995 112.503 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 22.6 p-90 -107.39 153.05 23.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 74.219999999999999 110.871 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -66.06 92.21 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 75.400000000000006 110.901 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 65.129999999999995 112.493 179.957 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 28.8 tttp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.824 0.345 . . . . 64.219999999999999 110.884 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -176.75 130.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 70.450000000000003 110.928 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -84.32 -73.67 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 64.209999999999994 110.932 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.52 -34.58 0.15 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.771 -0.728 . . . . 72.25 112.538 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -70.79 -61.89 1.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 65.409999999999997 110.882 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 172.85 35.39 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 53.329999999999998 112.526 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.406 HG22 HG23 ' A' ' 16' ' ' VAL . 21.6 t -91.29 133.5 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.896 0.379 . . . . 71.430000000000007 111.084 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.5 t -116.11 105.56 12.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 71.150000000000006 110.815 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 56.4 m -136.97 118.51 14.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 42.409999999999997 110.875 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -131.77 -68.26 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 73.120000000000005 110.87 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -137.78 -46.43 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 71.420000000000002 110.91 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -52.04 -51.45 57.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.340000000000003 110.881 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 165.0 -100.97 0.18 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 53.439999999999998 112.498 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.3 m -155.58 164.19 38.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.868 0.366 . . . . 64.519999999999996 110.86 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.91 39.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 71.409999999999997 110.867 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.422 ' O ' HG13 ' A' ' 16' ' ' VAL . 2.8 p -50.35 110.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 62.439999999999998 111.108 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.73 86.36 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 65.120000000000005 110.858 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.412 ' CZ2' HG21 ' A' ' 16' ' ' VAL . 35.6 m95 -75.52 69.9 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 75.099999999999994 110.94 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -147.04 -63.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 70.519999999999996 112.498 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -83.18 -25.93 31.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 71.310000000000002 110.889 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.83 -33.22 74.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 64.400000000000006 111.073 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.2 mm -56.5 -46.15 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 75.299999999999997 111.135 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.21 -20.9 61.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.784 -0.722 . . . . 73.5 112.51 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.5 mm -73.82 -30.28 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 51.420000000000002 111.175 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 28.0 mm -70.22 -29.03 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 71.140000000000001 111.15 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.439 ' O ' ' HB2' ' A' ' 30' ' ' ALA . . . -89.37 -21.82 39.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 23.510000000000002 112.503 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -82.12 -47.6 12.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.369 . . . . 74.209999999999994 110.871 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -57.83 -43.16 85.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 74.549999999999997 110.893 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.02 -25.62 55.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 74.439999999999998 111.132 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 26' ' ' GLY . . . -59.1 -26.31 64.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 73.349999999999994 111.093 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.67 -27.71 69.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 70.439999999999998 111.116 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -91.25 -31.84 15.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 71.430000000000007 110.871 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.2 mt -69.04 -49.77 54.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 75.120000000000005 110.944 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.725 HG23 HG23 ' A' ' 35' ' ' THR . 10.2 t -54.93 -30.4 58.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 72.409999999999997 111.149 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.725 HG23 HG23 ' A' ' 34' ' ' THR . 69.4 p -105.78 38.91 1.88 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 74.329999999999998 111.17 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -103.17 37.16 3.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 71.25 112.476 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -82.54 -77.83 1.06 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 54.149999999999999 112.501 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.06 179.26 6.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.334 . . . . 71.430000000000007 110.881 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.543 ' HB3' ' HA3' ' A' ' 43' ' ' GLY . . . -140.25 -169.52 2.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 50.329999999999998 111.091 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.21 -69.7 0.58 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 70.129999999999995 112.51 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -47.04 -33.63 5.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.824 0.345 . . . . 72.519999999999996 110.944 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 177.56 84.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 62.5 110.892 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.543 ' HA3' ' HB3' ' A' ' 39' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 72.400000000000006 112.511 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.76 0.314 . . . . 71.310000000000002 110.914 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -132.86 90.12 2.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.222 -0.445 . . . . 72.340000000000003 110.917 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -63.23 -41.68 99.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.116 -0.493 . . . . 70.109999999999999 110.949 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.15 19.44 7.19 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 74.340000000000003 112.465 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.436 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 2.6 p-10 -123.11 25.85 8.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 65.239999999999995 110.868 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 95.68 26.02 12.5 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 65.329999999999998 112.528 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.869 HG22 HG23 ' A' ' 16' ' ' VAL . 18.8 t -91.8 151.18 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 65.329999999999998 111.131 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.0 p -147.34 129.62 15.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 74.150000000000006 110.9 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.2 t -174.26 132.5 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 73.430000000000007 110.885 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -143.86 -62.24 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 75.140000000000001 110.891 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -140.05 -51.27 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 73.519999999999996 110.853 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.6 ttmt -51.88 -63.35 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 61.240000000000002 110.894 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.13 -166.5 34.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 75.230000000000004 112.527 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.6 m -122.2 159.72 26.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.348 . . . . 73.120000000000005 110.885 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.5 m -157.33 39.85 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 74.230000000000004 110.872 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.869 HG23 HG22 ' A' ' 7' ' ' VAL . 2.7 p -50.56 110.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 74.430000000000007 111.101 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -71.11 87.39 0.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 62.210000000000001 110.854 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -76.4 66.3 2.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 65.099999999999994 110.922 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.78 -43.02 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 74.239999999999995 112.533 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -102.37 17.68 22.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 74.409999999999997 110.863 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.436 ' HB2' ' HB2' ' A' ' 5' ' ' ASN . . . -117.09 -22.61 8.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 64.120000000000005 111.107 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.9 mm -50.9 146.53 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 74.25 111.137 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.7 -46.54 3.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.727 . . . . 73.329999999999998 112.5 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.1 mp -68.6 -26.67 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 73.329999999999998 111.142 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.0 mp -61.82 -43.98 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 71.150000000000006 111.149 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.33 -29.21 66.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 61.149999999999999 112.467 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.423 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 29.0 m120 -73.52 -39.3 64.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 63.240000000000002 110.9 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -54.23 -49.13 70.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 74.099999999999994 110.929 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.19 -29.49 69.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 45.530000000000001 111.108 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 27' ' ' ASN . . . -54.14 -32.78 56.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 75.150000000000006 111.092 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.5 -26.75 44.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 62.329999999999998 111.122 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -90.33 -28.37 18.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 53.509999999999998 110.857 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.7 mt -66.7 -28.93 68.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 74.450000000000003 110.87 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 35' ' ' THR . 5.0 t -110.38 -29.61 8.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 53.539999999999999 111.117 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' THR . 10.1 t 37.36 43.47 0.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 63.210000000000001 111.15 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.9 -56.86 6.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 52.109999999999999 112.495 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.39 23.88 25.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.729 . . . . 52.509999999999998 112.477 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -98.46 88.43 4.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.351 . . . . 72.019999999999996 110.89 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -156.32 166.29 33.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 51.420000000000002 111.096 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.36 74.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.695 -0.764 . . . . 74.099999999999994 112.491 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 25.0 p-90 -133.15 40.54 3.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.831 0.348 . . . . 74.230000000000004 110.941 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm 54.74 53.34 10.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 72.409999999999997 110.927 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 52.32 112.464 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.768 0.318 . . . . 74.319999999999993 110.871 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -103.37 108.66 19.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 73.450000000000003 110.911 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.607 ' CD2' HG21 ' A' ' 7' ' ' VAL . 5.9 m-85 -83.62 -48.09 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 71.129999999999995 110.933 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.16 -3.09 5.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 74.0 112.449 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.506 ' ND2' ' HB2' ' A' ' 21' ' ' ALA . 3.1 p-10 -95.22 21.81 7.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 73.439999999999998 110.893 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.7 27.74 13.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 71.200000000000003 112.521 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.607 HG21 ' CD2' ' A' ' 3' ' ' TYR . 18.9 t -91.57 134.02 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 74.230000000000004 111.11 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.22 108.18 13.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 62.130000000000003 110.872 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.6 m -131.94 118.87 20.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 63.100000000000001 110.899 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -122.6 -73.6 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 64.120000000000005 110.866 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.2 -41.58 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 73.409999999999997 110.873 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 43.0 tttt -56.99 -27.65 61.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 73.519999999999996 110.859 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.32 -84.73 0.19 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 72.519999999999996 112.467 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -159.53 -179.54 8.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.834 0.349 . . . . 34.109999999999999 110.905 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.7 m -162.4 37.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 41.409999999999997 110.88 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' ' 16' ' ' VAL . 4.4 p -54.58 112.34 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 74.349999999999994 111.129 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.4 -18.65 63.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.209999999999994 110.877 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 21.0 m95 54.77 44.53 28.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 75.329999999999998 110.942 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -127.37 -34.21 0.58 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 62.310000000000002 112.488 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -106.13 29.34 6.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 65.510000000000005 110.903 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.506 ' HB2' ' ND2' ' A' ' 5' ' ' ASN . . . -122.5 -34.64 3.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 72.120000000000005 111.061 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.459 HD12 ' H ' ' A' ' 22' ' ' ILE . 4.8 mp -75.42 -25.12 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 75.209999999999994 111.085 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.83 5.14 85.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 52.020000000000003 112.515 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.0 mt -115.62 -33.35 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.327 . . . . 62.210000000000001 111.129 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.0 pt -53.11 -28.56 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 74.439999999999998 111.12 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.37 -40.2 5.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 74.109999999999999 112.487 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.08 -22.64 66.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 63.340000000000003 110.86 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -52.72 -30.34 31.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 70.299999999999997 110.92 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.74 -19.07 20.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 73.519999999999996 111.093 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.71 -33.59 74.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 60.119999999999997 111.08 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.3 -29.49 70.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 73.510000000000005 111.092 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -91.02 -38.41 12.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 72.349999999999994 110.892 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.0 mt -52.51 -35.48 53.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 70.319999999999993 110.879 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.1 t -81.38 -28.74 34.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 44.399999999999999 111.139 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.9 m -56.95 -47.61 80.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 63.020000000000003 111.188 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.69 69.73 1.14 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 64.230000000000004 112.487 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.28 -82.32 1.19 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 54.32 112.479 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 ptmm? -90.58 -27.22 19.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 63.439999999999998 110.892 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 61.59 39.99 13.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 73.019999999999996 111.137 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.14 59.28 0.36 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 55.229999999999997 112.486 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.6 p90 -48.65 -41.05 30.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.796 0.331 . . . . 51.509999999999998 110.882 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 177.44 94.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 75.109999999999999 110.9 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.717 -0.754 . . . . 70.019999999999996 112.474 179.921 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.82 0.343 . . . . 72.430000000000007 110.899 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -147.54 127.34 13.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 75.150000000000006 110.905 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -105.55 -72.11 0.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.116 -0.493 . . . . 72.409999999999997 110.942 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.17 -44.12 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 61.100000000000001 112.476 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.715 ' OD1' HG23 ' A' ' 7' ' ' VAL . 22.4 p30 -59.99 -23.63 63.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.917 0.389 . . . . 75.310000000000002 110.911 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 133.87 -3.36 4.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 71.430000000000007 112.439 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.715 HG23 ' OD1' ' A' ' 5' ' ' ASN . 40.8 t -43.89 136.81 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.847 0.356 . . . . 72.200000000000003 111.109 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.9 t -151.43 153.19 34.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 43.439999999999998 110.862 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 17.4 t -105.4 153.02 22.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 74.230000000000004 110.894 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.03 -62.54 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 74.439999999999998 110.848 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mmpp? -145.69 -73.35 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 63.520000000000003 110.911 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -126.99 27.59 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 71.109999999999999 110.918 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -150.07 84.43 0.17 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.694 -0.765 . . . . 62.409999999999997 112.453 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.4 m -107.69 -168.23 1.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.883 0.373 . . . . 72.420000000000002 110.874 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 m 64.54 37.03 8.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 41.229999999999997 110.832 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 p -150.33 120.64 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 70.239999999999995 111.09 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.23 -24.27 64.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 75.400000000000006 110.844 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 30.1 m95 60.48 50.74 5.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 74.239999999999995 110.963 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -140.19 -49.95 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 33.350000000000001 112.477 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -84.84 -29.66 25.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.835 0.35 . . . . 72.310000000000002 110.917 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.96 -43.06 66.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 62.130000000000003 111.073 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.4 mm -55.95 -37.91 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 74.230000000000004 111.118 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.39 -24.24 75.01 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.793 -0.717 . . . . 54.329999999999998 112.467 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.3 mt -89.43 -42.15 14.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.78 0.324 . . . . 63.200000000000003 111.1 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.9 mt -69.14 -48.57 68.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 72.25 111.112 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.33 -22.19 55.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.794 -0.717 . . . . 64.040000000000006 112.493 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -88.07 -31.85 19.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 65.329999999999998 110.918 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -59.06 -49.92 76.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 44.240000000000002 110.924 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.71 -35.4 65.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 45.420000000000002 111.065 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.97 -27.19 41.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 72.120000000000005 111.136 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.22 -35.03 59.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 72.340000000000003 111.08 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -85.74 -26.44 25.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 52.240000000000002 110.866 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.61 -42.52 64.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 72.239999999999995 110.928 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.0 t -64.91 -33.81 76.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 73.019999999999996 111.143 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 p -73.03 -37.14 67.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 50.109999999999999 111.139 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.23 86.7 0.38 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.686 -0.769 . . . . 71.299999999999997 112.496 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.12 104.41 0.33 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 71.439999999999998 112.477 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 mtmm -61.76 164.35 6.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 74.349999999999994 110.893 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.36 137.62 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 61.43 111.158 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -130.8 67.61 0.56 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 42.310000000000002 112.503 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -148.45 167.42 25.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.875 0.369 . . . . 73.099999999999994 110.897 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.07 115.47 22.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 73.540000000000006 110.922 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.742 -0.742 . . . . 51.210000000000001 112.501 179.942 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.802 0.334 . . . . 75.549999999999997 110.871 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -86.95 141.29 28.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.530000000000001 110.925 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.497 ' CD2' HG21 ' A' ' 7' ' ' VAL . 6.5 m-85 -120.26 -47.45 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 74.409999999999997 110.923 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.98 -1.69 5.07 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 73.140000000000001 112.422 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -94.05 18.75 10.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.387 . . . . 63.119999999999997 110.889 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.68 19.23 16.1 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.817 -0.706 . . . . 64.120000000000005 112.5 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.775 HG22 HG23 ' A' ' 16' ' ' VAL . 16.6 t -75.01 152.03 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 73.310000000000002 111.138 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.48 122.66 4.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 61.520000000000003 110.833 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.9 t -164.27 121.33 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 64.519999999999996 110.92 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.55 -72.33 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 71.439999999999998 110.9 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -141.13 -40.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 71.120000000000005 110.907 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -60.67 -60.26 4.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 64.030000000000001 110.92 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -170.35 -178.35 41.12 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.734 -0.746 . . . . 32.43 112.491 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.0 m -113.94 169.76 8.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.88 0.371 . . . . 75.519999999999996 110.863 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.76 38.04 0.31 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 22.309999999999999 110.883 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.775 HG23 HG22 ' A' ' 7' ' ' VAL . 2.7 p -50.15 110.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 74.319999999999993 111.089 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.73 86.14 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.299999999999997 110.868 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 29.5 m95 -75.59 69.89 2.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 74.230000000000004 110.899 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.53 -39.86 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.686 -0.769 . . . . 73.120000000000005 112.456 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -95.0 -27.51 15.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.786 0.327 . . . . 75.019999999999996 110.913 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.428 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -70.54 -26.0 63.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 53.399999999999999 111.135 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.1 mm -57.42 -31.45 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 75.549999999999997 111.143 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.95 17.72 58.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 75.409999999999997 112.503 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 21' ' ' ALA . 62.1 mt -120.97 -34.05 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.844 0.354 . . . . 73.019999999999996 111.152 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.7 pt -54.96 -27.09 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 63.229999999999997 111.163 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.54 -27.58 68.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.802 -0.713 . . . . 52.240000000000002 112.469 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -91.43 -43.16 9.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.833 0.349 . . . . 54.310000000000002 110.88 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -58.87 -54.24 49.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 62.520000000000003 110.935 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.25 -27.27 68.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 70.310000000000002 111.093 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.13 -39.91 95.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 60.039999999999999 111.123 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.12 -33.53 58.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 70.430000000000007 111.132 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -74.84 -39.45 61.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 74.329999999999998 110.916 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.1 mt -55.85 -27.68 52.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 73.310000000000002 110.91 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.2 t -103.56 -27.36 12.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 74.540000000000006 111.132 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 m 60.62 44.62 11.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 75.409999999999997 111.174 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.56 -111.45 3.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 70.519999999999996 112.494 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.52 -65.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 51.409999999999997 112.475 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -139.73 176.93 8.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.333 . . . . 74.219999999999999 110.923 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -171.8 174.34 4.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 61.0 111.11 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' TRP . . . -179.1 80.99 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 34.119999999999997 112.489 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' GLY . 31.5 p-90 36.59 44.0 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 71.400000000000006 110.901 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm 51.42 60.67 3.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 51.420000000000002 110.889 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.7 -0.762 . . . . 72.319999999999993 112.46 179.947 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.792 0.33 . . . . 62.439999999999998 110.921 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -140.92 120.68 13.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 63.43 110.912 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -80.96 -74.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 72.519999999999996 110.94 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.58 -48.23 0.29 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 70.519999999999996 112.468 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.52 ' OD1' HG23 ' A' ' 7' ' ' VAL . 4.3 p30 -55.93 -26.37 47.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 74.129999999999995 110.91 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 148.18 -16.78 1.34 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 72.209999999999994 112.49 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.52 HG23 ' OD1' ' A' ' 5' ' ' ASN . 89.2 t -42.24 127.36 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 61.109999999999999 111.118 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.76 170.69 1.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.329999999999998 110.899 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.8 p -137.02 164.37 28.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 70.120000000000005 110.881 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -148.05 -48.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 64.209999999999994 110.895 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.05 25.14 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 75.409999999999997 110.932 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 mtpp -134.47 -71.91 0.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 75.140000000000001 110.879 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -172.56 155.55 23.43 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.773 -0.727 . . . . 74.230000000000004 112.51 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 74.8 m -89.35 -174.27 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 72.340000000000003 110.872 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 m 63.76 28.24 14.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 72.219999999999999 110.837 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.7 p -147.44 115.72 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 52.009999999999998 111.159 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -69.13 86.81 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 71.219999999999999 110.862 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 47.6 m95 -74.86 70.1 1.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 74.5 110.92 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -147.35 -46.05 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 34.109999999999999 112.48 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -87.15 -24.93 24.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.741 0.305 . . . . 62.409999999999997 110.839 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' ' 25' ' ' ILE . . . -71.9 -18.86 62.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 73.420000000000002 111.12 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.1 mm -66.52 141.5 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 64.400000000000006 111.124 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.16 -17.36 47.64 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.75 . . . . 60.240000000000002 112.505 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 78.8 mt -111.16 -28.0 2.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 63.539999999999999 111.137 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 21' ' ' ALA . 16.6 pt -52.43 -31.09 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 75.209999999999994 111.156 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.9 -38.3 16.37 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.761 -0.733 . . . . 63.25 112.52 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -64.75 -36.05 83.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.354 . . . . 70.319999999999993 110.88 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -55.61 -52.69 62.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 72.450000000000003 110.908 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.55 -35.06 78.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 35.229999999999997 111.078 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.79 -34.66 59.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 73.340000000000003 111.15 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.17 -33.64 65.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 24.129999999999999 111.103 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -84.77 -26.28 27.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 71.109999999999999 110.883 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.32 -26.01 65.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 55.119999999999997 110.927 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -100.26 -30.41 11.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 45.240000000000002 111.165 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.3 m -79.65 -47.92 14.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 74.430000000000007 111.152 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -88.77 -59.84 1.57 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.734 -0.746 . . . . 73.510000000000005 112.512 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.3 161.6 1.05 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 60.539999999999999 112.508 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.77 26.75 11.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.352 . . . . 64.409999999999997 110.926 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.78 147.16 26.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 65.010000000000005 111.132 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 148.0 -36.86 1.11 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 71.200000000000003 112.481 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -54.36 -30.09 50.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.808 0.337 . . . . 74.219999999999999 110.894 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.15 -42.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 73.420000000000002 110.906 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 41.240000000000002 112.519 179.918 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.903 0.382 . . . . 60.44 110.863 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 16' ' ' VAL . 2.9 p -50.92 110.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 75.4 111.12 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.12 87.04 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 74.12 110.859 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -75.71 69.78 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 73.52 110.954 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.32 -41.98 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.686 -0.769 . . . . 74.31 112.498 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -87.63 -31.68 19.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 73.41 110.899 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.43 -36.81 81.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 54.13 111.119 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.7 mm -60.11 -34.05 55.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 71.42 111.183 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.02 -20.01 79.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 71.43 112.502 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 64.5 mt -84.16 -27.61 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.796 0.331 . . . . 74.54 111.169 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.2 mt -75.8 -39.39 38.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 53.14 111.158 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.47 -39.79 53.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 72.4 112.515 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -77.06 -39.45 49.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 72.32 110.905 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -54.09 -49.68 68.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 74.5 110.852 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.75 -31.34 66.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 72.3 111.064 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.15 -28.46 64.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 71.34 111.096 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.14 -27.0 62.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 65.34 111.109 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -82.29 -26.52 33.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 72.33 110.881 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.0 mt -75.81 -43.0 48.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.882 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.4 t -70.5 -25.91 63.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 71.54 111.15 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.7 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 65.42 111.184 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.4 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.885 0.374 . . . . 64.4 110.843 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 16' ' ' VAL . 2.8 p -50.75 110.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 72.13 111.116 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.15 86.11 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 73.2 110.809 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -75.62 69.68 2.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 74.52 110.964 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -144.12 -43.96 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.774 -0.727 . . . . 73.33 112.501 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -91.23 -26.81 18.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 74.51 110.879 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.7 -28.29 64.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 72.33 111.059 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.1 mm -57.26 -29.1 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 73.21 111.08 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.3 -24.37 71.2 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 72.01 112.468 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.4 mt -76.14 -36.18 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 71.13 111.15 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.6 mt -51.31 -30.04 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 53.13 111.121 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -104.97 -9.96 33.37 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.747 -0.739 . . . . 74.33 112.494 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -110.39 23.08 14.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 74.35 110.845 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -121.62 -34.34 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 71.31 110.866 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.07 -30.79 19.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 44.5 111.136 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.38 -42.35 92.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 53.4 111.076 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.59 -28.02 52.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 55.11 111.129 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -91.73 -34.3 14.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 73.45 110.916 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 mt -60.06 -34.42 73.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 72.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -79.19 -25.71 42.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 75.3 111.135 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.8 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 75.54 111.148 -179.955 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.928 0.394 . . . . 61.32 110.89 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 16' ' ' VAL . 2.8 p -50.4 110.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 74.13 111.141 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.61 87.85 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.879 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -75.61 69.88 2.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.928 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -153.57 -39.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 62.02 112.502 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -111.55 26.0 11.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 65.44 110.918 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.52 -25.94 7.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 61.42 111.119 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.421 HD12 ' H ' ' A' ' 22' ' ' ILE . 4.9 mp -78.13 -28.65 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 65.11 111.094 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.78 -19.23 63.9 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.743 . . . . 62.34 112.477 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.4 mm -78.96 -25.26 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 75.33 111.083 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.7 mt -52.06 -35.7 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 63.03 111.095 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.76 -33.18 55.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 74.31 112.451 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.7 m120 -90.79 -32.09 16.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 33.11 110.914 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -64.27 -46.57 83.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 64.13 110.93 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.83 -26.15 67.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 43.11 111.081 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.06 -27.8 67.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 75.42 111.075 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.66 -26.61 63.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 72.32 111.077 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -90.56 -27.59 19.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 73.22 110.88 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.3 mt -84.22 -39.08 19.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 62.25 110.915 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.0 t -55.05 -32.85 62.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 72.42 111.151 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.6 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 71.34 111.113 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.879 0.371 . . . . 73.31 110.831 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 16' ' ' VAL . 2.7 p -50.4 110.74 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 64.31 111.134 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.61 86.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 43.4 110.859 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -75.59 69.95 2.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 72.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.18 -54.45 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 72.31 112.453 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -87.63 -25.31 23.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 65.22 110.927 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.65 -25.18 63.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 73.23 111.136 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.505 ' HA ' HD12 ' A' ' 25' ' ' ILE . 45.3 mm -55.92 -27.46 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 75.15 111.152 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.66 -19.78 75.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 73.25 112.479 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.6 mt -88.47 -30.04 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.742 0.306 . . . . 64.54 111.08 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 22' ' ' ILE . 74.4 mt -54.7 -31.13 23.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 73.51 111.157 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.08 -19.81 74.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 74.3 112.479 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -91.94 -36.2 13.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.348 . . . . 71.44 110.843 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -53.54 -62.12 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 74.11 110.897 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.96 79.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 32.33 111.144 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.4 -25.74 62.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.44 111.09 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.89 -33.9 71.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 63.24 111.078 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -74.54 -32.95 62.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 73.45 110.909 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.86 -26.55 67.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 64.12 110.934 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.6 p -87.35 -24.98 24.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 73.02 111.135 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 72.22 111.154 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.909 0.385 . . . . 75.04 110.861 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 16' ' ' VAL . 2.4 p -47.91 109.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 63.42 111.127 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -68.53 87.73 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 73.01 110.868 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -77.04 63.09 2.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 75.24 110.912 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.52 -41.6 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 60.41 112.536 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.06 26.19 10.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 74.4 110.907 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.76 -36.55 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 63.43 111.114 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 51.3 mm -58.35 -31.14 42.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 64.11 111.121 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.22 -0.71 90.31 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 55.51 112.511 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.3 mm -102.91 -52.85 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.788 0.328 . . . . 71.14 111.112 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.0 mt -55.26 -30.14 24.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 73.13 111.105 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.09 14.78 62.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.699 -0.762 . . . . 74.24 112.501 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -125.96 -37.53 2.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 73.23 110.878 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -66.93 -26.84 67.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 64.21 110.88 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.11 23.16 14.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 43.11 111.114 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.1 -32.06 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 62.24 111.06 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.04 -25.32 63.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 72.53 111.086 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -86.62 -27.06 24.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 73.54 110.872 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.5 mt -70.78 -62.65 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 73.14 110.951 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.9 t -54.46 -27.18 35.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 73.44 111.12 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 71.22 111.168 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.916 0.389 . . . . 72.43 110.825 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 16' ' ' VAL . 2.6 p -49.59 110.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.111 -0.495 . . . . 45.15 111.13 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -71.23 87.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 74.35 110.845 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -76.1 67.92 2.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 73.11 110.895 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -146.57 -41.49 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.723 -0.751 . . . . 72.53 112.497 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -84.57 -26.46 27.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 53.14 110.918 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.434 ' HA ' HD13 ' A' ' 24' ' ' ILE . . . -81.64 -27.63 34.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.12 111.054 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.428 ' HA ' HD12 ' A' ' 25' ' ' ILE . 50.3 mm -52.85 -46.71 52.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 71.44 111.121 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.19 -33.22 37.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 75.51 112.512 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.439 HD12 ' H ' ' A' ' 24' ' ' ILE . 5.4 mp -82.75 -37.41 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 61.22 111.123 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 22' ' ' ILE . 54.6 mt -63.79 -40.5 89.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 71.21 111.154 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.83 -27.14 74.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 31.03 112.462 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -82.43 -45.33 14.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 71.43 110.89 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -57.48 -44.69 85.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 74.14 110.897 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.2 -29.53 61.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 62.32 111.103 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.457 ' HA ' HD13 ' A' ' 33' ' ' LEU . . . -58.11 -28.95 65.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 61.51 111.102 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.8 -29.64 41.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 55.54 111.103 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -86.68 -27.42 23.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 50.41 110.903 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 30' ' ' ALA . 9.4 mp -65.13 -35.69 81.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 54.53 110.909 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.516 HG23 HG23 ' A' ' 35' ' ' THR . 15.3 t -82.02 -25.05 35.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 64.03 111.131 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.516 HG23 HG23 ' A' ' 34' ' ' THR . 35.5 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 63.44 111.117 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.6 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.869 0.366 . . . . 75.53 110.866 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.404 HG13 ' O ' ' A' ' 16' ' ' VAL . 2.5 p -50.01 110.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 63.41 111.107 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -69.34 86.88 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 70.14 110.87 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -77.32 60.72 2.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 73.22 110.903 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.26 -42.06 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 61.1 112.543 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.34 22.47 12.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 71.53 110.905 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.38 -29.35 5.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 34.13 111.121 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.8 mm -51.32 145.64 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 71.15 111.123 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.61 -42.38 3.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 73.01 112.491 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 53.8 mt -72.42 -23.89 21.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.783 0.325 . . . . 73.35 111.095 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.9 mt -86.34 -41.18 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 74.33 111.133 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.48 -19.63 58.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 72.12 112.477 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -102.31 -32.61 9.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 73.01 110.935 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -57.49 -50.4 73.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 62.32 110.892 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.44 -31.88 71.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 65.24 111.141 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.18 -31.66 69.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 73.23 111.126 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.42 -29.14 65.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 74.13 111.074 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -85.43 -29.12 24.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 63.43 110.844 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.66 -34.29 77.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 74.35 110.851 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.3 t -87.91 -26.33 22.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 64.41 111.164 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 75.32 111.14 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.963 0.411 . . . . 70.33 110.822 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 p -113.66 113.22 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 71.22 111.119 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.1 88.61 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 72.12 110.829 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -79.43 62.19 3.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 64.43 110.889 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -136.53 -42.9 0.1 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 73.24 112.478 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -99.54 27.65 5.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.811 0.339 . . . . 72.2 110.913 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.464 ' HA ' HD13 ' A' ' 24' ' ' ILE . . . -121.14 -38.34 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 62.22 111.094 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.8 mm -53.12 -43.18 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 65.51 111.162 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.12 -32.65 57.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.723 . . . . 64.13 112.512 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.464 HD13 ' HA ' ' A' ' 21' ' ' ALA . 5.4 mp -82.02 -43.79 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 72.14 111.137 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.3 mm -57.89 -29.8 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 65.32 111.105 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.48 -38.5 94.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 70.11 112.499 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -73.09 -27.47 61.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.347 . . . . 73.42 110.841 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -63.99 -58.47 6.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 75.53 110.884 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.04 -29.31 63.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 55.41 111.083 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.465 ' O ' HG22 ' A' ' 34' ' ' THR . . . -56.61 -25.73 53.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 50.44 111.142 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.77 -29.3 66.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 62.24 111.066 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.439 ' O ' HG23 ' A' ' 35' ' ' THR . 10.0 m-80 -76.87 -32.37 57.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 63.2 110.9 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.5 mt -75.88 -42.21 49.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 63.43 110.886 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 30' ' ' ALA . 8.1 t -76.56 -25.16 53.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 61.22 111.122 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 32' ' ' ASN . 5.9 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 75.43 111.146 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.928 0.394 . . . . 74.21 110.836 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 p -47.76 107.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 72.13 111.13 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.82 93.62 0.08 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 75.33 110.838 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 57.1 m95 -83.25 64.52 7.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 61.22 110.914 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -140.25 -49.01 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.751 . . . . 72.13 112.487 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -101.53 26.12 7.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.779 0.324 . . . . 64.12 110.933 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.87 -28.73 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 53.5 111.119 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.431 HD12 ' H ' ' A' ' 22' ' ' ILE . 4.9 mp -76.94 -25.18 15.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 62.24 111.142 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.52 4.06 86.49 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.75 -0.738 . . . . 74.12 112.504 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 61.4 mt -112.99 -32.24 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 63.53 111.162 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.0 pt -59.38 -30.38 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 60.43 111.144 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.94 -23.49 38.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 53.13 112.484 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -86.35 -39.86 16.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 75.35 110.923 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -53.62 -57.81 9.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 64.3 110.866 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.618 ' O ' HD12 ' A' ' 33' ' ' LEU . . . -64.87 -35.43 81.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 64.4 111.085 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.73 -27.99 20.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 62.51 111.129 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.73 -44.93 84.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 63.31 111.086 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -82.09 -24.83 34.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 55.4 110.897 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.618 HD12 ' O ' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -65.95 -54.0 31.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 63.34 110.873 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.7 t -51.8 -42.49 62.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 70.33 111.111 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 73.43 111.12 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.933 0.397 . . . . 65.02 110.87 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.6 p -46.7 108.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 71.11 111.133 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.72 94.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 62.24 110.873 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 41.5 m95 -86.55 65.49 9.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 61.42 110.901 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.22 -42.84 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.75 -0.738 . . . . 63.52 112.493 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -89.65 -31.11 17.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 72.14 110.916 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.72 -26.86 60.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 71.23 111.091 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 51.4 mm -58.57 -28.27 36.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 75.25 111.126 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.78 19.72 51.27 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 52.33 112.519 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.0 mm -111.8 -28.39 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.344 . . . . 61.33 111.154 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 22.5 pt -62.74 -29.66 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 64.04 111.132 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.485 ' O ' ' HB2' ' A' ' 30' ' ' ALA . . . -58.74 -32.47 69.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.692 -0.766 . . . . 74.41 112.513 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -80.04 -33.21 39.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 72.33 110.913 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -73.26 -49.28 28.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.906 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.69 -29.55 68.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 73.42 111.154 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.665 ' O ' HG22 ' A' ' 34' ' ' THR . . . -54.19 -38.8 66.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 74.43 111.119 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.68 -26.29 66.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 71.34 111.092 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -81.63 -27.31 34.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 62.22 110.857 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.2 mt -79.91 -49.96 11.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 72.14 110.905 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.665 HG22 ' O ' ' A' ' 30' ' ' ALA . 5.0 t -76.38 -26.34 55.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 62.23 111.114 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.5 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 43.21 111.177 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.91 0.386 . . . . 45.22 110.838 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 16' ' ' VAL . 3.0 p -51.16 112.06 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 62.0 111.14 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.37 85.92 1.48 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 75.45 110.861 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 26.9 m95 -75.6 69.43 2.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.212 -0.449 . . . . 63.13 110.962 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.01 -39.24 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 60.12 112.493 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -98.06 -25.33 14.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 72.14 110.873 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.08 -34.81 78.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 45.32 111.083 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.3 mm -53.1 -39.47 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 75.23 111.164 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.94 -22.15 68.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.75 . . . . 73.2 112.521 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.2 mt -80.01 -33.13 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 62.4 111.143 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.3 mm -51.73 -30.2 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 64.2 111.119 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.79 -55.18 11.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.736 . . . . 74.32 112.518 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -51.9 -43.52 63.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.361 . . . . 54.22 110.86 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -59.55 -57.67 11.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 43.12 110.914 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.48 -18.82 60.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 53.23 111.117 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.49 ' HA ' HD22 ' A' ' 33' ' ' LEU . . . -90.45 12.13 19.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 54.52 111.124 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -105.21 -15.61 15.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 70.42 111.134 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -113.58 -18.57 11.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 62.34 110.864 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.592 HD23 ' N ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -60.73 -19.54 59.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 65.31 110.906 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.592 ' N ' HD23 ' A' ' 33' ' ' LEU . 9.8 t -116.45 -30.42 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 72.44 111.155 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 61.51 111.097 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.897 0.38 . . . . 62.2 110.833 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -149.68 115.6 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 73.42 111.121 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -69.88 87.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 62.33 110.854 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.1 m95 -74.18 70.93 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 75.2 110.896 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.57 -44.37 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.746 . . . . 74.44 112.5 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.525 ' NZ ' HD11 ' A' ' 24' ' ' ILE . 5.5 tmtt? -97.01 -26.74 14.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 73.2 110.902 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.29 -24.7 67.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 72.44 111.076 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.453 HD12 ' H ' ' A' ' 22' ' ' ILE . 4.9 mp -76.71 -25.17 15.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 74.12 111.157 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.94 -18.82 64.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.736 -0.745 . . . . 74.34 112.517 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.525 HD11 ' NZ ' ' A' ' 20' ' ' LYS . 50.7 mm -77.44 -37.48 25.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.829 0.347 . . . . 55.53 111.187 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 45.3 mm -53.5 -32.54 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 72.21 111.163 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.35 -48.14 54.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 75.21 112.492 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -89.36 -27.63 20.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 71.34 110.917 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -62.89 -43.78 97.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 61.23 110.902 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.99 -32.25 39.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 43.3 111.107 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.61 -26.85 62.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.3 111.057 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.47 -26.57 61.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 54.14 111.082 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -91.43 -28.35 17.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 31.31 110.873 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.83 -26.04 67.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 72.23 110.896 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.1 t -116.9 -29.73 5.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 74.1 111.124 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 62.33 111.136 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.875 0.369 . . . . 71.12 110.85 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.0 p -52.42 111.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 64.41 111.128 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.95 -21.76 64.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 73.4 110.878 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.623 ' HZ3' HD11 ' A' ' 25' ' ' ILE . 27.0 m95 58.77 60.04 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 63.42 110.914 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.9 -38.35 0.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 64.51 112.497 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -116.76 24.41 11.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.762 0.315 . . . . 75.32 110.89 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.47 -30.8 4.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 74.2 111.135 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.527 HD12 ' H ' ' A' ' 22' ' ' ILE . 5.1 mp -60.6 143.91 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 70.11 111.128 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.3 -21.88 22.55 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 75.43 112.528 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.2 mt -96.52 -24.01 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.813 0.34 . . . . 73.3 111.113 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.623 HD11 ' HZ3' ' A' ' 18' ' ' TRP . 56.7 mt -51.68 -38.84 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 64.0 111.102 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.12 -28.58 33.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 74.01 112.483 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -68.13 -29.57 68.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 72.23 110.9 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -60.44 -50.3 74.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 74.14 110.872 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.96 -33.65 70.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 74.42 111.127 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.8 -46.28 74.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 72.31 111.102 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.29 -26.59 63.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 72.44 111.152 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -87.12 -30.68 20.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 65.54 110.885 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 mt -69.99 -48.8 56.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 65.05 110.927 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.688 HG23 HG23 ' A' ' 35' ' ' THR . 12.9 t -55.04 -28.9 55.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 72.03 111.102 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.688 HG23 HG23 ' A' ' 34' ' ' THR . 24.3 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 75.42 111.149 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.862 0.363 . . . . 73.35 110.858 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.7 p -49.1 109.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 72.01 111.148 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.94 -25.38 29.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.82 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.5 m95 59.18 40.4 21.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 63.4 110.91 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -120.83 -32.53 1.08 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 74.22 112.507 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -94.49 18.47 11.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.321 . . . . 71.22 110.868 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.74 -34.31 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 51.42 111.081 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.0 mm -51.17 145.29 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 65.14 111.121 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.75 -38.94 3.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 73.24 112.501 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.6 mt -81.55 -25.51 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.768 0.318 . . . . 74.43 111.104 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 61.1 mt -62.64 -37.33 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 52.41 111.13 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.28 -38.31 18.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.79 -0.719 . . . . 71.2 112.478 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 16.6 m120 -59.57 -41.56 90.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 54.35 110.926 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -57.38 -46.83 82.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 74.34 110.905 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.64 -26.26 66.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 65.11 111.101 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 27' ' ' ASN . . . -58.99 -29.95 67.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 63.35 111.139 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.41 -26.36 67.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 75.03 111.098 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -77.68 -30.13 51.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 74.52 110.862 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.5 mt -66.26 -30.47 70.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 73.31 110.932 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 t -101.09 -26.28 13.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 60.13 111.125 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.1 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.53 111.121 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.932 0.396 . . . . 71.41 110.867 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 16' ' ' VAL . 2.8 p -50.35 110.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 62.44 111.108 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.73 86.36 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 65.12 110.858 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.412 ' CZ2' HG21 ' A' ' 16' ' ' VAL . 35.6 m95 -75.52 69.9 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 75.1 110.94 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -147.04 -63.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 70.52 112.498 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -83.18 -25.93 31.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 71.31 110.889 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.83 -33.22 74.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 64.4 111.073 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.2 mm -56.5 -46.15 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 75.3 111.135 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.21 -20.9 61.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.784 -0.722 . . . . 73.5 112.51 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.5 mm -73.82 -30.28 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 51.42 111.175 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 28.0 mm -70.22 -29.03 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 71.14 111.15 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.439 ' O ' ' HB2' ' A' ' 30' ' ' ALA . . . -89.37 -21.82 39.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 23.51 112.503 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -82.12 -47.6 12.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.369 . . . . 74.21 110.871 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -57.83 -43.16 85.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 74.55 110.893 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.02 -25.62 55.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 74.44 111.132 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 26' ' ' GLY . . . -59.1 -26.31 64.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 73.35 111.093 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.67 -27.71 69.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 70.44 111.116 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -91.25 -31.84 15.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 71.43 110.871 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.2 mt -69.04 -49.77 54.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 75.12 110.944 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.725 HG23 HG23 ' A' ' 35' ' ' THR . 10.2 t -54.93 -30.4 58.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 72.41 111.149 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.725 HG23 HG23 ' A' ' 34' ' ' THR . 69.4 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 74.33 111.17 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.5 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.924 0.392 . . . . 74.23 110.872 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 16' ' ' VAL . 2.7 p -50.56 110.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 74.43 111.101 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -71.11 87.39 0.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 62.21 110.854 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -76.4 66.3 2.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 65.1 110.922 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.78 -43.02 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 74.24 112.533 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -102.37 17.68 22.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 74.41 110.863 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.09 -22.61 8.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 64.12 111.107 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.9 mm -50.9 146.53 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 74.25 111.137 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.7 -46.54 3.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.727 . . . . 73.33 112.5 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.1 mp -68.6 -26.67 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 73.33 111.142 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.0 mp -61.82 -43.98 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 71.15 111.149 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.33 -29.21 66.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 61.15 112.467 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.423 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 29.0 m120 -73.52 -39.3 64.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 63.24 110.9 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -54.23 -49.13 70.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 74.1 110.929 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.19 -29.49 69.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 45.53 111.108 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 27' ' ' ASN . . . -54.14 -32.78 56.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 75.15 111.092 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.5 -26.75 44.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 62.33 111.122 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -90.33 -28.37 18.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 53.51 110.857 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.7 mt -66.7 -28.93 68.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 74.45 110.87 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 35' ' ' THR . 5.0 t -110.38 -29.61 8.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 53.54 111.117 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' THR . 10.1 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 63.21 111.15 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.937 0.398 . . . . 41.41 110.88 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.4 p -54.58 112.34 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 74.35 111.129 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.4 -18.65 63.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.21 110.877 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 21.0 m95 54.77 44.53 28.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 75.33 110.942 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -127.37 -34.21 0.58 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 62.31 112.488 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -106.13 29.34 6.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 65.51 110.903 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.5 -34.64 3.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 72.12 111.061 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.459 HD12 ' H ' ' A' ' 22' ' ' ILE . 4.8 mp -75.42 -25.12 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 75.21 111.085 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.83 5.14 85.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 52.02 112.515 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.0 mt -115.62 -33.35 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.327 . . . . 62.21 111.129 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.0 pt -53.11 -28.56 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 74.44 111.12 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.37 -40.2 5.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 74.11 112.487 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -22.64 66.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 63.34 110.86 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -52.72 -30.34 31.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 70.3 110.92 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.74 -19.07 20.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 73.52 111.093 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.71 -33.59 74.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 60.12 111.08 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.3 -29.49 70.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 73.51 111.092 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -91.02 -38.41 12.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 72.35 110.892 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.0 mt -52.51 -35.48 53.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 70.32 110.879 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.1 t -81.38 -28.74 34.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 44.4 111.139 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.9 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 63.02 111.188 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.882 0.372 . . . . 41.23 110.832 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 p -150.33 120.64 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 70.24 111.09 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.23 -24.27 64.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 75.4 110.844 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 30.1 m95 60.48 50.74 5.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 74.24 110.963 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -140.19 -49.95 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 33.35 112.477 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -84.84 -29.66 25.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.835 0.35 . . . . 72.31 110.917 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.96 -43.06 66.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 62.13 111.073 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.4 mm -55.95 -37.91 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 74.23 111.118 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.39 -24.24 75.01 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.793 -0.717 . . . . 54.33 112.467 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.3 mt -89.43 -42.15 14.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.78 0.324 . . . . 63.2 111.1 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.9 mt -69.14 -48.57 68.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 72.25 111.112 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.33 -22.19 55.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.794 -0.717 . . . . 64.04 112.493 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -88.07 -31.85 19.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 65.33 110.918 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -59.06 -49.92 76.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 44.24 110.924 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.71 -35.4 65.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 45.42 111.065 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.97 -27.19 41.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 72.12 111.136 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.22 -35.03 59.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 72.34 111.08 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -85.74 -26.44 25.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 52.24 110.866 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.61 -42.52 64.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.928 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.0 t -64.91 -33.81 76.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 73.02 111.143 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 50.11 111.139 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.934 0.397 . . . . 22.31 110.883 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 16' ' ' VAL . 2.7 p -50.15 110.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 74.32 111.089 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.73 86.14 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.3 110.868 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 29.5 m95 -75.59 69.89 2.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.899 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.53 -39.86 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.686 -0.769 . . . . 73.12 112.456 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -95.0 -27.51 15.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.786 0.327 . . . . 75.02 110.913 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.428 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -70.54 -26.0 63.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 53.4 111.135 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.1 mm -57.42 -31.45 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 75.55 111.143 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.95 17.72 58.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 75.41 112.503 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 21' ' ' ALA . 62.1 mt -120.97 -34.05 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.844 0.354 . . . . 73.02 111.152 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.7 pt -54.96 -27.09 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 63.23 111.163 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.54 -27.58 68.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.802 -0.713 . . . . 52.24 112.469 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -91.43 -43.16 9.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.833 0.349 . . . . 54.31 110.88 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -58.87 -54.24 49.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 62.52 110.935 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.25 -27.27 68.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 70.31 111.093 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.13 -39.91 95.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 60.04 111.123 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.12 -33.53 58.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 70.43 111.132 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -74.84 -39.45 61.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.916 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.1 mt -55.85 -27.68 52.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 73.31 110.91 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.2 t -103.56 -27.36 12.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 74.54 111.132 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 75.41 111.174 -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.882 0.372 . . . . 72.22 110.837 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.7 p -147.44 115.72 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 52.01 111.159 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -69.13 86.81 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 71.22 110.862 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 47.6 m95 -74.86 70.1 1.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 74.5 110.92 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -147.35 -46.05 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 34.11 112.48 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -87.15 -24.93 24.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.741 0.305 . . . . 62.41 110.839 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' ' 25' ' ' ILE . . . -71.9 -18.86 62.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 73.42 111.12 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.1 mm -66.52 141.5 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 64.4 111.124 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.16 -17.36 47.64 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.75 . . . . 60.24 112.505 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.449 HG22 ' ND2' ' A' ' 28' ' ' ASN . 78.8 mt -111.16 -28.0 2.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 63.54 111.137 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 21' ' ' ALA . 16.6 pt -52.43 -31.09 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 75.21 111.156 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.9 -38.3 16.37 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.761 -0.733 . . . . 63.25 112.52 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -64.75 -36.05 83.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.354 . . . . 70.32 110.88 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.449 ' ND2' HG22 ' A' ' 24' ' ' ILE . 1.7 m-80 -55.61 -52.69 62.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 72.45 110.908 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.55 -35.06 78.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 35.23 111.078 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.79 -34.66 59.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 73.34 111.15 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.17 -33.64 65.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 24.13 111.103 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -84.77 -26.28 27.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 71.11 110.883 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.32 -26.01 65.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 55.12 110.927 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -100.26 -30.41 11.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 45.24 111.165 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.3 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 74.43 111.152 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.805 0.336 . . . . 70.31 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -132.72 97.1 3.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 71.54 110.929 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -65.59 -42.53 91.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 64.21 110.898 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.81 19.85 6.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.802 -0.713 . . . . 52.45 112.512 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.451 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 9.7 p30 -124.72 24.16 7.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 52.1 110.865 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 99.07 26.23 9.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 64.22 112.482 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.879 HG22 HG23 ' A' ' 16' ' ' VAL . 20.9 t -92.45 150.6 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 73.34 111.135 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.9 p -146.79 130.17 16.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 52.21 110.835 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.5 t -173.94 126.78 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 74.33 110.845 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.12 -62.64 0.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 64.35 110.881 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -146.52 -45.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 64.5 110.863 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.9 tttp -55.31 -53.93 49.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 74.3 110.867 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.34 -169.02 41.75 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.733 -0.746 . . . . 75.13 112.497 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.0 m -120.93 164.42 16.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 63.25 110.9 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.1 m -160.54 40.0 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 60.44 110.863 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.879 HG23 HG22 ' A' ' 7' ' ' VAL . 2.9 p -50.92 110.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 75.4 111.12 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.12 87.04 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 74.12 110.859 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -75.71 69.78 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 73.52 110.954 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.32 -41.98 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.686 -0.769 . . . . 74.31 112.498 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -87.63 -31.68 19.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 73.41 110.899 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.451 ' HB2' ' HB2' ' A' ' 5' ' ' ASN . . . -61.43 -36.81 81.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 54.13 111.119 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.7 mm -60.11 -34.05 55.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 71.42 111.183 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.02 -20.01 79.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 71.43 112.502 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 64.5 mt -84.16 -27.61 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.796 0.331 . . . . 74.54 111.169 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.2 mt -75.8 -39.39 38.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 53.14 111.158 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.47 -39.79 53.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 72.4 112.515 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -77.06 -39.45 49.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 72.32 110.905 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -54.09 -49.68 68.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 74.5 110.852 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.75 -31.34 66.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 72.3 111.064 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.15 -28.46 64.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 71.34 111.096 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.14 -27.0 62.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 65.34 111.109 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -82.29 -26.52 33.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 72.33 110.881 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.0 mt -75.81 -43.0 48.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.882 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.675 HG23 ' H ' ' A' ' 36' ' ' GLY . 11.4 t -70.5 -25.91 63.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 71.54 111.15 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.7 p 49.88 33.0 5.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 65.42 111.184 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.675 ' H ' HG23 ' A' ' 34' ' ' THR . . . -112.09 47.42 1.04 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.76 . . . . 42.43 112.467 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.52 150.94 11.87 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 61.23 112.492 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -94.45 163.28 13.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.737 0.304 . . . . 75.33 110.932 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -169.12 128.94 1.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 65.03 111.125 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -93.98 43.02 2.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 75.11 112.439 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -58.54 175.74 0.23 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.829 0.347 . . . . 75.42 110.899 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -69.14 -62.78 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 71.44 110.892 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 62.22 112.471 179.898 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.761 0.315 . . . . 65.4 110.87 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -140.54 113.29 8.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.447 . . . . 70.34 110.943 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -75.84 -66.83 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 75.51 110.894 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.1 -42.62 0.31 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 50.0 112.483 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.539 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 21.5 p30 -65.69 -26.56 67.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 74.04 110.842 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 131.02 36.22 0.35 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.699 -0.762 . . . . 70.14 112.486 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.533 HG22 HG23 ' A' ' 16' ' ' VAL . 21.3 t -89.6 137.6 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 55.23 111.122 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -123.8 111.92 16.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 71.24 110.83 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.3 m -136.78 106.99 6.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 63.1 110.875 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -115.46 -74.3 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 74.15 110.877 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -138.11 -41.45 0.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 73.45 110.9 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -56.83 -25.08 55.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 74.1 110.867 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 138.22 -101.06 0.31 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.742 -0.742 . . . . 65.14 112.486 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.22 165.76 35.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 62.22 110.897 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.4 m -160.32 40.47 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 64.4 110.843 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.533 HG23 HG22 ' A' ' 7' ' ' VAL . 2.8 p -50.75 110.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 72.13 111.116 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.15 86.11 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 73.2 110.809 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -75.62 69.68 2.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 74.52 110.964 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -144.12 -43.96 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.774 -0.727 . . . . 73.33 112.501 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -91.23 -26.81 18.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 74.51 110.879 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.539 ' HB2' ' HB2' ' A' ' 5' ' ' ASN . . . -70.7 -28.29 64.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 72.33 111.059 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.1 mm -57.26 -29.1 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 73.21 111.08 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.3 -24.37 71.2 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 72.01 112.468 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.4 mt -76.14 -36.18 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 71.13 111.15 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.6 mt -51.31 -30.04 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 53.13 111.121 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -104.97 -9.96 33.37 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.747 -0.739 . . . . 74.33 112.494 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -110.39 23.08 14.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 74.35 110.845 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -121.62 -34.34 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 71.31 110.866 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.07 -30.79 19.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 44.5 111.136 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.38 -42.35 92.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 53.4 111.076 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.59 -28.02 52.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 55.11 111.129 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -91.73 -34.3 14.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 73.45 110.916 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 mt -60.06 -34.42 73.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 72.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -79.19 -25.71 42.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 75.3 111.135 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.8 m -80.51 -46.68 15.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 75.54 111.148 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.79 91.64 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.709 -0.758 . . . . 33.01 112.468 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.61 126.89 3.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 72.4 112.465 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -69.34 149.8 48.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.789 0.328 . . . . 72.53 110.872 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -143.44 179.99 6.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 71.23 111.151 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -171.82 49.85 0.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.737 . . . . 74.3 112.495 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -145.87 -176.49 5.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.82 0.343 . . . . 72.03 110.923 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -92.63 66.29 4.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 54.52 110.915 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 64.14 112.547 179.909 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.786 0.327 . . . . 75.31 110.926 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -175.63 107.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 73.42 110.862 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -67.63 -63.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 74.4 110.868 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.18 -19.48 3.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.775 -0.726 . . . . 70.31 112.479 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.49 ' OD1' HG23 ' A' ' 7' ' ' VAL . 23.3 p30 -77.97 -22.43 49.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 64.44 110.84 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.96 -17.07 0.92 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 61.32 112.505 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.852 HG22 HG23 ' A' ' 16' ' ' VAL . 35.9 t -51.65 134.33 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 73.21 111.094 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 t -175.83 165.66 3.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 73.15 110.898 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 97.2 m -126.76 165.9 18.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 72.33 110.886 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -132.0 -68.09 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 71.13 110.899 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -142.02 -71.78 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 73.12 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.14 -62.39 1.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.864 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -154.47 -125.99 1.02 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 65.13 112.475 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.8 m -119.68 -171.65 2.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.796 0.331 . . . . 75.11 110.9 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.59 36.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 61.32 110.89 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.852 HG23 HG22 ' A' ' 7' ' ' VAL . 2.8 p -50.4 110.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 74.13 111.141 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.61 87.85 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.879 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -75.61 69.88 2.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.928 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -153.57 -39.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 62.02 112.502 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -111.55 26.0 11.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 65.44 110.918 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.52 -25.94 7.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 61.42 111.119 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.421 HD12 ' H ' ' A' ' 22' ' ' ILE . 4.9 mp -78.13 -28.65 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 65.11 111.094 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.78 -19.23 63.9 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.743 . . . . 62.34 112.477 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.4 mm -78.96 -25.26 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 75.33 111.083 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.7 mt -52.06 -35.7 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 63.03 111.095 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.76 -33.18 55.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 74.31 112.451 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.7 m120 -90.79 -32.09 16.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 33.11 110.914 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -64.27 -46.57 83.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 64.13 110.93 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.83 -26.15 67.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 43.11 111.081 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.06 -27.8 67.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 75.42 111.075 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.66 -26.61 63.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 72.32 111.077 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -90.56 -27.59 19.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 73.22 110.88 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.3 mt -84.22 -39.08 19.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 62.25 110.915 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.0 t -55.05 -32.85 62.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 72.42 111.151 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.6 t -104.48 35.16 2.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 71.34 111.113 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.81 -33.22 5.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 52.54 112.457 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.68 -52.1 0.76 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.785 -0.722 . . . . 71.33 112.477 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.4 mmtt -115.1 166.92 11.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 72.15 110.914 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -107.72 157.69 17.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 74.45 111.149 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.87 84.83 0.37 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.694 -0.765 . . . . 33.43 112.45 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.1 p-90 -170.92 162.4 7.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.815 0.34 . . . . 74.14 110.963 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt -58.85 -60.79 3.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 71.14 110.863 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.722 . . . . 50.22 112.505 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.787 0.327 . . . . 74.23 110.937 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -115.22 114.96 25.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 62.34 110.962 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -91.49 -61.39 1.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 72.04 110.95 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.99 -36.86 0.66 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 31.33 112.438 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -63.79 -27.15 68.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 71.14 110.869 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 131.11 36.01 0.36 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 72.25 112.473 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.808 HG22 HG23 ' A' ' 16' ' ' VAL . 21.4 t -90.35 148.73 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.357 . . . . 73.21 111.155 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 t -147.36 125.97 12.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 63.21 110.845 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 17.5 t -173.42 129.44 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 72.44 110.908 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -138.64 -61.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 74.35 110.842 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -138.48 -51.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 64.23 110.877 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -51.98 -68.06 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 71.32 110.923 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -172.53 -170.47 36.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 72.14 112.509 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.6 m -120.48 158.48 27.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 61.42 110.869 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.54 37.26 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 73.31 110.831 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.808 HG23 HG22 ' A' ' 7' ' ' VAL . 2.7 p -50.4 110.74 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 64.31 111.134 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.61 86.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 43.4 110.859 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -75.59 69.95 2.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 72.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.18 -54.45 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 72.31 112.453 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -87.63 -25.31 23.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 65.22 110.927 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.65 -25.18 63.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 73.23 111.136 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.505 ' HA ' HD12 ' A' ' 25' ' ' ILE . 45.3 mm -55.92 -27.46 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 75.15 111.152 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.66 -19.78 75.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 73.25 112.479 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.6 mt -88.47 -30.04 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.742 0.306 . . . . 64.54 111.08 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 22' ' ' ILE . 74.4 mt -54.7 -31.13 23.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 73.51 111.157 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.08 -19.81 74.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 74.3 112.479 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -91.94 -36.2 13.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.348 . . . . 71.44 110.843 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -53.54 -62.12 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 74.11 110.897 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.96 79.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 32.33 111.144 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.4 -25.74 62.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.44 111.09 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.89 -33.9 71.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 63.24 111.078 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -74.54 -32.95 62.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 73.45 110.909 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.86 -26.55 67.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 64.12 110.934 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.6 p -87.35 -24.98 24.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 73.02 111.135 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.8 m -113.24 65.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 72.22 111.154 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 112.22 88.42 1.77 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 63.51 112.446 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.91 140.56 15.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.718 -0.753 . . . . 63.12 112.465 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.2 153.3 23.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.747 0.308 . . . . 71.24 110.911 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 56.32 34.79 24.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 34.32 111.106 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -95.55 26.89 17.77 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.769 -0.729 . . . . 71.54 112.502 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 19.4 p-90 -121.9 -37.79 2.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.77 0.319 . . . . 74.44 110.907 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.5 ttmt -151.08 -71.38 0.17 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 75.13 110.899 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 65.24 112.519 179.929 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.788 0.328 . . . . 74.32 110.942 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -99.34 130.53 45.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 75.5 110.891 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -102.13 -47.09 4.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 71.45 110.952 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.26 -32.38 0.36 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.799 -0.715 . . . . 13.35 112.495 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -88.16 -67.76 0.81 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.855 0.36 . . . . 61.43 110.913 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 179.49 37.57 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 62.21 112.475 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.603 HG13 ' HB ' ' A' ' 16' ' ' VAL . 19.3 t -82.55 151.7 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 71.53 111.115 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.7 p -179.5 98.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 74.15 110.911 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.32 133.28 52.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 62.3 110.886 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -138.32 -73.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 51.01 110.87 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm -153.68 -56.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 75.42 110.872 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -51.83 -62.89 1.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 74.33 110.86 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.77 169.82 39.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 51.33 112.467 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.6 p -143.9 -175.6 4.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 72.54 110.892 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.12 39.91 0.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 75.04 110.861 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.603 ' HB ' HG13 ' A' ' 7' ' ' VAL . 2.4 p -47.91 109.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 63.42 111.127 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -68.53 87.73 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 73.01 110.868 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -77.04 63.09 2.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 75.24 110.912 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.52 -41.6 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 60.41 112.536 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.06 26.19 10.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 74.4 110.907 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.76 -36.55 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 63.43 111.114 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 51.3 mm -58.35 -31.14 42.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 64.11 111.121 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.22 -0.71 90.31 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 55.51 112.511 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.3 mm -102.91 -52.85 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.788 0.328 . . . . 71.14 111.112 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.0 mt -55.26 -30.14 24.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 73.13 111.105 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.09 14.78 62.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.699 -0.762 . . . . 74.24 112.501 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -125.96 -37.53 2.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 73.23 110.878 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -66.93 -26.84 67.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 64.21 110.88 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.11 23.16 14.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 43.11 111.114 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.1 -32.06 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 62.24 111.06 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.04 -25.32 63.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 72.53 111.086 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -86.62 -27.06 24.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 73.54 110.872 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.5 mt -70.78 -62.65 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 73.14 110.951 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.405 HG23 ' H ' ' A' ' 36' ' ' GLY . 2.9 t -54.46 -27.18 35.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 73.44 111.12 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 m 57.37 31.0 19.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 71.22 111.168 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.405 ' H ' HG23 ' A' ' 34' ' ' THR . . . -112.26 19.54 22.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 75.04 112.524 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -112.56 95.73 0.8 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.779 -0.725 . . . . 45.23 112.498 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -167.68 108.79 0.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.77 0.319 . . . . 63.12 110.885 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.13 40.11 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 71.23 111.115 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.53 -70.75 2.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 51.1 112.5 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 24.6 p-90 -118.88 38.56 3.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.867 0.365 . . . . 73.33 110.928 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? 56.31 28.54 13.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 72.44 110.896 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 43.11 112.471 179.927 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.788 0.327 . . . . 74.04 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -109.71 90.58 3.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.903 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -61.75 -39.66 92.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 65.22 110.889 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.18 -8.09 28.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 61.21 112.487 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -94.4 20.37 8.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.877 0.37 . . . . 72.34 110.862 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 97.27 29.77 7.74 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 25.32 112.501 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.878 HG22 HG23 ' A' ' 16' ' ' VAL . 6.4 t -106.3 155.54 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.875 0.369 . . . . 73.31 111.107 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -116.47 -77.09 0.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 63.43 110.841 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 17.0 m 50.29 49.7 20.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 75.44 110.874 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -51.37 -58.96 4.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 64.11 110.878 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -151.82 -54.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 72.34 110.886 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -133.9 19.05 3.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 74.24 110.906 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -138.39 107.11 0.55 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.765 -0.731 . . . . 64.12 112.491 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 74.4 m -108.08 148.26 30.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.861 0.363 . . . . 64.52 110.852 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 p -153.15 38.68 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 72.43 110.825 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.878 HG23 HG22 ' A' ' 7' ' ' VAL . 2.6 p -49.59 110.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.111 -0.495 . . . . 45.15 111.13 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -71.23 87.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 74.35 110.845 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -76.1 67.92 2.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 73.11 110.895 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -146.57 -41.49 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.723 -0.751 . . . . 72.53 112.497 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -84.57 -26.46 27.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 53.14 110.918 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.434 ' HA ' HD13 ' A' ' 24' ' ' ILE . . . -81.64 -27.63 34.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.12 111.054 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.428 ' HA ' HD12 ' A' ' 25' ' ' ILE . 50.3 mm -52.85 -46.71 52.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 71.44 111.121 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.19 -33.22 37.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 75.51 112.512 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.439 HD12 ' H ' ' A' ' 24' ' ' ILE . 5.4 mp -82.75 -37.41 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 61.22 111.123 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 22' ' ' ILE . 54.6 mt -63.79 -40.5 89.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 71.21 111.154 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.83 -27.14 74.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 31.03 112.462 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -82.43 -45.33 14.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 71.43 110.89 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -57.48 -44.69 85.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 74.14 110.897 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.2 -29.53 61.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 62.32 111.103 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.457 ' HA ' HD13 ' A' ' 33' ' ' LEU . . . -58.11 -28.95 65.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 61.51 111.102 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.8 -29.64 41.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 55.54 111.103 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -86.68 -27.42 23.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 50.41 110.903 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 30' ' ' ALA . 9.4 mp -65.13 -35.69 81.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 54.53 110.909 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.516 HG23 HG23 ' A' ' 35' ' ' THR . 15.3 t -82.02 -25.05 35.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 64.03 111.131 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.516 HG23 HG23 ' A' ' 34' ' ' THR . 35.5 p -105.17 61.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 63.44 111.117 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.48 -80.97 0.32 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 74.13 112.439 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.01 151.67 19.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 75.24 112.506 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.13 -32.85 4.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.766 0.317 . . . . 74.42 110.854 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.09 28.62 3.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 55.32 111.125 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 56.69 47.87 81.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 74.13 112.529 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -143.97 168.67 19.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 75.53 110.942 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -81.14 84.97 6.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 71.42 110.901 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.708 -0.758 . . . . 74.43 112.478 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.788 0.328 . . . . 62.31 110.962 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -115.59 84.07 2.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 65.21 110.92 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -60.95 -26.07 67.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 63.5 110.925 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.53 -28.81 7.95 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.747 . . . . 74.42 112.452 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.62 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 20.3 p30 -67.54 -26.4 66.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.882 0.372 . . . . 72.21 110.902 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.04 36.79 0.3 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 72.32 112.486 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.961 HG22 HG23 ' A' ' 16' ' ' VAL . 20.0 t -92.5 150.5 3.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 72.31 111.101 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.2 t -155.77 131.06 9.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 65.13 110.86 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.5 t -173.83 122.32 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 64.4 110.906 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -136.6 -74.12 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 63.11 110.895 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -122.71 -33.75 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 71.22 110.859 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -68.83 -66.83 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 74.54 110.854 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.99 178.84 46.1 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.663 -0.779 . . . . 75.22 112.46 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.2 m -105.64 150.0 25.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 72.01 110.886 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.6 m -153.01 39.59 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.53 110.866 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.961 HG23 HG22 ' A' ' 7' ' ' VAL . 2.5 p -50.01 110.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 63.41 111.107 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -69.34 86.88 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 70.14 110.87 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -77.32 60.72 2.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 73.22 110.903 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.26 -42.06 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 61.1 112.543 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.34 22.47 12.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 71.53 110.905 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.62 ' HB2' ' HB2' ' A' ' 5' ' ' ASN . . . -118.38 -29.35 5.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 34.13 111.121 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.8 mm -51.32 145.64 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 71.15 111.123 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.61 -42.38 3.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 73.01 112.491 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 53.8 mt -72.42 -23.89 21.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.783 0.325 . . . . 73.35 111.095 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.9 mt -86.34 -41.18 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 74.33 111.133 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.48 -19.63 58.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 72.12 112.477 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -102.31 -32.61 9.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 73.01 110.935 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -57.49 -50.4 73.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 62.32 110.892 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.44 -31.88 71.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 65.24 111.141 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.18 -31.66 69.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 73.23 111.126 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.42 -29.14 65.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 74.13 111.074 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -85.43 -29.12 24.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 63.43 110.844 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.66 -34.29 77.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 74.35 110.851 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.3 t -87.91 -26.33 22.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 64.41 111.164 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.5 m 64.36 44.39 4.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 75.32 111.14 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -133.08 -48.07 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 53.12 112.503 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.99 -143.02 2.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.693 -0.765 . . . . 74.12 112.497 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -56.28 115.56 2.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.77 0.319 . . . . 52.14 110.905 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.73 136.6 39.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 71.41 111.112 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.28 -29.92 3.3 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.763 -0.732 . . . . 64.54 112.48 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 -59.55 170.99 0.92 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.856 0.36 . . . . 64.35 110.887 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -55.69 149.17 14.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 74.04 110.912 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 74.12 112.465 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 40.6 tttt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.8 0.333 . . . . 63.15 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -139.81 102.32 4.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 75.03 110.902 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -69.17 -32.75 72.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 72.3 110.96 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.77 -45.32 1.3 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.709 -0.758 . . . . 34.22 112.48 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -57.14 -24.86 57.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.82 0.343 . . . . 71.31 110.872 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.28 36.65 0.29 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 72.44 112.464 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.7 t -98.68 136.09 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.779 0.323 . . . . 72.53 111.172 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.2 t -115.72 112.34 21.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 72.12 110.847 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 98.6 m -134.0 155.04 50.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 71.42 110.902 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -123.71 -75.39 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 70.23 110.904 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.18 -40.09 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 72.01 110.926 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.33 8.26 4.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 51.32 110.854 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -138.68 138.65 9.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.698 -0.763 . . . . 74.21 112.484 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -120.37 -178.46 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 74.34 110.858 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.31 93.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 70.33 110.822 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 p -113.66 113.22 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 71.22 111.119 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.1 88.61 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 72.12 110.829 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -79.43 62.19 3.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 64.43 110.889 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -136.53 -42.9 0.1 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 73.24 112.478 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -99.54 27.65 5.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.811 0.339 . . . . 72.2 110.913 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.464 ' HA ' HD13 ' A' ' 24' ' ' ILE . . . -121.14 -38.34 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 62.22 111.094 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.8 mm -53.12 -43.18 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 65.51 111.162 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.12 -32.65 57.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.723 . . . . 64.13 112.512 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.464 HD13 ' HA ' ' A' ' 21' ' ' ALA . 5.4 mp -82.02 -43.79 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 72.14 111.137 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.3 mm -57.89 -29.8 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 65.32 111.105 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.48 -38.5 94.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 70.11 112.499 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -73.09 -27.47 61.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.347 . . . . 73.42 110.841 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -63.99 -58.47 6.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 75.53 110.884 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.04 -29.31 63.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 55.41 111.083 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.465 ' O ' HG22 ' A' ' 34' ' ' THR . . . -56.61 -25.73 53.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 50.44 111.142 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.77 -29.3 66.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 62.24 111.066 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.439 ' O ' HG23 ' A' ' 35' ' ' THR . 10.0 m-80 -76.87 -32.37 57.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 63.2 110.9 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.5 mt -75.88 -42.21 49.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 63.43 110.886 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 30' ' ' ALA . 8.1 t -76.56 -25.16 53.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 61.22 111.122 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 32' ' ' ASN . 5.9 p 46.2 35.68 2.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 75.43 111.146 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.445 ' H ' HG23 ' A' ' 34' ' ' THR . . . -99.67 -33.77 5.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 54.11 112.47 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.93 -113.09 0.32 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.727 -0.749 . . . . 64.22 112.476 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -152.23 126.91 9.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.773 0.32 . . . . 75.34 110.909 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -151.87 164.95 36.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 73.14 111.152 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.12 72.79 0.47 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 50.21 112.484 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -59.7 163.17 4.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.775 0.322 . . . . 73.25 110.916 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp -55.92 -70.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 72.24 110.879 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 72.13 112.522 179.954 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.9 tptm . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.772 0.32 . . . . 71.25 110.837 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -133.81 99.83 4.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 63.25 110.896 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -62.87 -48.31 79.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 64.33 110.943 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.78 30.13 1.18 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 72.33 112.534 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -128.66 -63.08 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 75.14 110.902 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.47 22.89 0.25 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 62.24 112.514 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.599 HG22 ' HA ' ' A' ' 16' ' ' VAL . 3.0 t -101.97 161.53 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 74.1 111.115 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.417 ' N ' HG12 ' A' ' 7' ' ' VAL . 1.0 OUTLIER 65.45 94.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 75.43 110.902 -179.807 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.8 p -91.82 -170.36 2.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 61.31 110.893 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -110.89 -56.23 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 72.24 110.913 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -152.35 -40.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 74.32 110.868 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -50.52 -73.69 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 65.33 110.898 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.41 152.43 14.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 44.41 112.451 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.3 m -101.02 177.79 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.332 . . . . 74.15 110.936 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -171.43 54.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.836 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.599 ' HA ' HG22 ' A' ' 7' ' ' VAL . 2.2 p -47.76 107.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 72.13 111.13 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.82 93.62 0.08 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 75.33 110.838 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 57.1 m95 -83.25 64.52 7.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 61.22 110.914 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -140.25 -49.01 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.751 . . . . 72.13 112.487 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -101.53 26.12 7.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.779 0.324 . . . . 64.12 110.933 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.87 -28.73 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 53.5 111.119 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.431 HD12 ' H ' ' A' ' 22' ' ' ILE . 4.9 mp -76.94 -25.18 15.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 62.24 111.142 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.52 4.06 86.49 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.75 -0.738 . . . . 74.12 112.504 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 61.4 mt -112.99 -32.24 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 63.53 111.162 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.0 pt -59.38 -30.38 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 60.43 111.144 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.94 -23.49 38.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 53.13 112.484 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -86.35 -39.86 16.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 75.35 110.923 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -53.62 -57.81 9.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 64.3 110.866 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.618 ' O ' HD12 ' A' ' 33' ' ' LEU . . . -64.87 -35.43 81.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 64.4 111.085 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.73 -27.99 20.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 62.51 111.129 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.73 -44.93 84.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 63.31 111.086 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -82.09 -24.83 34.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 55.4 110.897 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.618 HD12 ' O ' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -65.95 -54.0 31.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 63.34 110.873 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.7 t -51.8 -42.49 62.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 70.33 111.111 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.8 t -79.32 -21.64 45.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 73.43 111.12 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.26 -81.99 0.26 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.738 -0.744 . . . . 54.32 112.456 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 152.29 -159.76 28.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.774 -0.726 . . . . 73.32 112.529 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -132.94 -50.06 0.88 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.809 0.338 . . . . 71.12 110.904 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -125.24 164.52 20.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 72.22 111.112 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -165.73 32.96 0.23 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 74.41 112.505 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -56.35 177.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.348 . . . . 71.43 110.94 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -117.28 75.17 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 74.32 110.92 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 72.12 112.497 179.92 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.833 0.349 . . . . 74.51 110.866 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -86.73 95.27 9.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.942 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -72.44 -37.05 68.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 74.13 110.93 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.91 21.63 7.35 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.763 -0.732 . . . . 70.44 112.514 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.416 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 2.3 p-10 -124.25 26.02 7.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 74.42 110.845 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.31 19.27 19.13 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.734 -0.745 . . . . 51.03 112.47 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.573 HG22 HG23 ' A' ' 16' ' ' VAL . 5.6 t -90.94 142.02 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.885 0.374 . . . . 73.43 111.12 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.8 t -151.06 125.73 9.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 42.22 110.849 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.6 p -179.87 176.13 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 52.04 110.872 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -144.35 -68.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 61.33 110.833 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -162.14 49.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 73.11 110.861 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.0 pttm -150.86 -48.59 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 73.25 110.88 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -170.18 156.72 27.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.687 -0.768 . . . . 41.24 112.464 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.3 m -120.58 150.01 41.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 74.41 110.874 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.65 42.62 1.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 65.02 110.87 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.573 HG23 HG22 ' A' ' 7' ' ' VAL . 1.6 p -46.7 108.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 71.11 111.133 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.72 94.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 62.24 110.873 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 41.5 m95 -86.55 65.49 9.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 61.42 110.901 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.22 -42.84 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.75 -0.738 . . . . 63.52 112.493 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -89.65 -31.11 17.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 72.14 110.916 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.416 ' HB2' ' HB2' ' A' ' 5' ' ' ASN . . . -73.72 -26.86 60.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 71.23 111.091 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 51.4 mm -58.57 -28.27 36.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 75.25 111.126 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.78 19.72 51.27 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 52.33 112.519 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.0 mm -111.8 -28.39 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.344 . . . . 61.33 111.154 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 22.5 pt -62.74 -29.66 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 64.04 111.132 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.485 ' O ' ' HB2' ' A' ' 30' ' ' ALA . . . -58.74 -32.47 69.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.692 -0.766 . . . . 74.41 112.513 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -80.04 -33.21 39.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 72.33 110.913 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -73.26 -49.28 28.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.906 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.69 -29.55 68.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 73.42 111.154 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.665 ' O ' HG22 ' A' ' 34' ' ' THR . . . -54.19 -38.8 66.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 74.43 111.119 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.68 -26.29 66.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 71.34 111.092 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -81.63 -27.31 34.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 62.22 110.857 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.2 mt -79.91 -49.96 11.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 72.14 110.905 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.665 HG22 ' O ' ' A' ' 30' ' ' ALA . 5.0 t -76.38 -26.34 55.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 62.23 111.114 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.5 p 49.87 38.17 15.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 43.21 111.177 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.6 -60.31 4.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 65.22 112.469 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.59 57.4 1.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 55.25 112.505 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -127.32 154.3 45.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.347 . . . . 71.34 110.922 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -165.77 153.68 10.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 72.1 111.14 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.54 58.76 0.46 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.746 . . . . 61.55 112.47 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -133.43 35.67 3.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.851 0.357 . . . . 75.12 110.959 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? 57.91 48.4 13.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 65.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.781 -0.723 . . . . 71.32 112.495 179.928 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.833 0.349 . . . . 74.23 110.92 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -158.47 132.47 7.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 74.42 110.882 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -110.08 -65.13 1.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 74.54 110.935 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.49 -30.7 0.36 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.714 -0.755 . . . . 72.42 112.465 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.607 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 18.3 p30 -67.01 -26.5 66.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.899 0.38 . . . . 74.53 110.858 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 133.05 36.84 0.26 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.721 -0.752 . . . . 64.14 112.442 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.713 HG22 HG23 ' A' ' 16' ' ' VAL . 20.2 t -83.93 149.16 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 74.21 111.127 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.4 t -158.94 140.44 13.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 52.45 110.88 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.3 m -140.2 152.66 46.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 43.3 110.857 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -137.87 -75.18 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 75.14 110.881 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.33 -40.67 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.897 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -58.91 -44.31 91.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 51.41 110.925 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.62 -70.8 0.2 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 74.34 112.481 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -179.27 -175.14 0.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.872 0.367 . . . . 71.24 110.884 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 p -157.8 38.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 45.22 110.838 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.713 HG23 HG22 ' A' ' 7' ' ' VAL . 3.0 p -51.16 112.06 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 62.0 111.14 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.37 85.92 1.48 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 75.45 110.861 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 26.9 m95 -75.6 69.43 2.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.212 -0.449 . . . . 63.13 110.962 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.01 -39.24 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 60.12 112.493 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -98.06 -25.33 14.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 72.14 110.873 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.607 ' HB2' ' CB ' ' A' ' 5' ' ' ASN . . . -67.08 -34.81 78.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 45.32 111.083 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.3 mm -53.1 -39.47 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 75.23 111.164 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.94 -22.15 68.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.75 . . . . 73.2 112.521 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.2 mt -80.01 -33.13 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 62.4 111.143 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.3 mm -51.73 -30.2 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 64.2 111.119 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.79 -55.18 11.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.736 . . . . 74.32 112.518 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -51.9 -43.52 63.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.361 . . . . 54.22 110.86 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -59.55 -57.67 11.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 43.12 110.914 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.48 -18.82 60.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 53.23 111.117 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.49 ' HA ' HD22 ' A' ' 33' ' ' LEU . . . -90.45 12.13 19.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 54.52 111.124 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -105.21 -15.61 15.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 70.42 111.134 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -113.58 -18.57 11.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 62.34 110.864 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.592 HD23 ' N ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -60.73 -19.54 59.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 65.31 110.906 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.592 ' N ' HD23 ' A' ' 33' ' ' LEU . 9.8 t -116.45 -30.42 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 72.44 111.155 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 m 61.17 41.79 13.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 61.51 111.097 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.459 ' H ' HG23 ' A' ' 34' ' ' THR . . . -95.86 -25.76 12.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 63.52 112.47 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -94.15 -133.06 6.77 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.783 -0.722 . . . . 72.35 112.48 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -96.28 135.9 37.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.827 0.346 . . . . 53.45 110.903 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.15 175.77 5.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 70.32 111.116 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.79 -70.12 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 72.24 112.508 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -120.21 -178.04 3.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.766 0.317 . . . . 73.52 110.942 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.4 tttm -102.54 105.58 16.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 71.24 110.924 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 63.45 112.52 179.922 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.7 tttt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.742 0.306 . . . . 71.35 110.893 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -170.63 103.73 0.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 73.45 110.873 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -74.07 -47.87 33.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 74.14 110.958 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.28 21.3 3.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 72.02 112.474 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -116.99 -13.69 10.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 74.15 110.933 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 159.27 -21.51 0.29 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.727 -0.749 . . . . 54.15 112.513 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.769 HG13 ' HA ' ' A' ' 15' ' ' SER . 78.9 t -48.66 122.21 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.784 0.326 . . . . 74.53 111.126 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -176.58 169.28 2.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 63.03 110.876 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.6 m -50.64 150.85 2.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 75.31 110.902 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -140.8 -49.22 0.43 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 71.24 110.894 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.23 -69.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 72.33 110.872 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -117.84 -32.19 4.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 71.14 110.904 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -120.7 165.8 13.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.782 -0.723 . . . . 42.24 112.49 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.1 m -116.5 100.34 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.34 . . . . 64.03 110.886 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.769 ' HA ' HG13 ' A' ' 7' ' ' VAL . 1.1 m -178.95 67.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 62.2 110.833 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -149.68 115.6 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 73.42 111.121 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -69.88 87.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 62.33 110.854 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.1 m95 -74.18 70.93 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 75.2 110.896 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.57 -44.37 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.746 . . . . 74.44 112.5 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.525 ' NZ ' HD11 ' A' ' 24' ' ' ILE . 5.5 tmtt? -97.01 -26.74 14.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 73.2 110.902 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.29 -24.7 67.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 72.44 111.076 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.453 HD12 ' H ' ' A' ' 22' ' ' ILE . 4.9 mp -76.71 -25.17 15.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 74.12 111.157 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.94 -18.82 64.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.736 -0.745 . . . . 74.34 112.517 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.525 HD11 ' NZ ' ' A' ' 20' ' ' LYS . 50.7 mm -77.44 -37.48 25.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.829 0.347 . . . . 55.53 111.187 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 45.3 mm -53.5 -32.54 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 72.21 111.163 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.35 -48.14 54.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 75.21 112.492 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -89.36 -27.63 20.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 71.34 110.917 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -62.89 -43.78 97.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 61.23 110.902 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.99 -32.25 39.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 43.3 111.107 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.61 -26.85 62.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.3 111.057 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.47 -26.57 61.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 54.14 111.082 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -91.43 -28.35 17.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 31.31 110.873 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.83 -26.04 67.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 72.23 110.896 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.1 t -116.9 -29.73 5.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 74.1 111.124 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -120.5 44.77 2.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 62.33 111.136 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -155.76 92.85 0.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.751 . . . . 44.5 112.491 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.54 -86.22 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.732 . . . . 61.43 112.49 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -102.99 142.35 34.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.792 0.33 . . . . 74.21 110.915 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -107.19 165.26 11.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 54.11 111.1 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 176.94 86.59 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.692 -0.766 . . . . 63.55 112.431 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.9 p90 -58.73 -22.29 57.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.879 0.371 . . . . 74.01 110.934 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -170.38 -66.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 72.34 110.906 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 70.42 112.478 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.78 0.324 . . . . 71.24 110.873 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -169.17 117.89 0.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.948 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -83.77 -51.11 7.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 74.33 110.906 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.18 -33.48 2.79 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 71.32 112.462 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.477 ' OD1' HG23 ' A' ' 7' ' ' VAL . 19.9 p30 -61.69 -24.81 67.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 50.1 110.894 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.63 36.49 0.29 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.761 -0.733 . . . . 74.13 112.499 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.477 HG23 ' OD1' ' A' ' 5' ' ' ASN . 20.8 t -102.7 133.79 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.331 . . . . 71.52 111.085 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -112.67 103.54 11.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 52.14 110.845 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 65.6 m -131.83 117.16 18.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 73.25 110.884 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -130.43 -74.4 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 61.11 110.856 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.9 pttm -132.49 -44.65 0.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 73.31 110.901 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -54.37 -27.46 36.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 51.43 110.847 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.27 -79.32 0.32 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.73 . . . . 63.01 112.493 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.89 171.1 15.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 61.31 110.908 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.78 34.72 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 71.12 110.85 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.0 p -52.42 111.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 64.41 111.128 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.95 -21.76 64.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 73.4 110.878 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.623 ' HZ3' HD11 ' A' ' 25' ' ' ILE . 27.0 m95 58.77 60.04 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 63.42 110.914 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.9 -38.35 0.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 64.51 112.497 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -116.76 24.41 11.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.762 0.315 . . . . 75.32 110.89 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.476 ' HB2' ' CG ' ' A' ' 5' ' ' ASN . . . -119.47 -30.8 4.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 74.2 111.135 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.527 HD12 ' H ' ' A' ' 22' ' ' ILE . 5.1 mp -60.6 143.91 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 70.11 111.128 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.3 -21.88 22.55 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 75.43 112.528 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.2 mt -96.52 -24.01 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.813 0.34 . . . . 73.3 111.113 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.623 HD11 ' HZ3' ' A' ' 18' ' ' TRP . 56.7 mt -51.68 -38.84 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 64.0 111.102 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.12 -28.58 33.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 74.01 112.483 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -68.13 -29.57 68.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 72.23 110.9 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -60.44 -50.3 74.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 74.14 110.872 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.96 -33.65 70.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 74.42 111.127 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.8 -46.28 74.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 72.31 111.102 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.29 -26.59 63.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 72.44 111.152 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -87.12 -30.68 20.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 65.54 110.885 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 mt -69.99 -48.8 56.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 65.05 110.927 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.688 HG23 HG23 ' A' ' 35' ' ' THR . 12.9 t -55.04 -28.9 55.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 72.03 111.102 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.688 HG23 HG23 ' A' ' 34' ' ' THR . 24.3 p -104.55 25.36 10.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 75.42 111.149 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -109.2 -47.1 0.89 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 64.32 112.51 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.47 -114.57 0.95 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.788 -0.72 . . . . 64.22 112.525 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -110.09 166.42 10.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.752 0.31 . . . . 73.43 110.92 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -129.27 -178.57 4.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 74.43 111.082 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -133.04 59.45 0.68 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.709 -0.758 . . . . 62.15 112.505 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -57.72 -30.87 65.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.347 . . . . 63.44 110.934 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.61 -170.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 63.35 110.849 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 54.11 112.497 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.783 0.325 . . . . 73.23 110.878 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -164.48 118.42 1.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 72.24 110.927 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -87.07 -40.9 14.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 74.22 110.925 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.63 -21.45 5.06 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 71.21 112.478 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.436 ' C ' ' HB2' ' A' ' 21' ' ' ALA . 1.0 OUTLIER -95.19 22.65 6.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.37 . . . . 70.11 110.913 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.49 35.17 48.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.739 . . . . 62.1 112.479 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.651 HG22 ' HB ' ' A' ' 16' ' ' VAL . 3.4 t -96.78 141.89 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.856 0.36 . . . . 64.23 111.111 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.9 t -135.18 110.14 8.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 71.03 110.848 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.2 p -179.47 -175.56 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 73.05 110.899 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.13 -61.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 64.23 110.85 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -142.44 -40.63 0.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 54.1 110.957 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.11 -64.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 71.01 110.921 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -172.99 153.24 17.91 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 34.23 112.507 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.03 148.3 24.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.363 . . . . 74.45 110.889 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 p -160.69 55.58 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.35 110.858 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.651 ' HB ' HG22 ' A' ' 7' ' ' VAL . 1.7 p -49.1 109.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 72.01 111.148 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.94 -25.38 29.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.82 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.5 m95 59.18 40.4 21.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 63.4 110.91 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -120.83 -32.53 1.08 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 74.22 112.507 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -94.49 18.47 11.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.321 . . . . 71.22 110.868 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.436 ' HB2' ' C ' ' A' ' 5' ' ' ASN . . . -122.74 -34.31 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 51.42 111.081 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.0 mm -51.17 145.29 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 65.14 111.121 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.75 -38.94 3.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 73.24 112.501 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.6 mt -81.55 -25.51 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.768 0.318 . . . . 74.43 111.104 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 61.1 mt -62.64 -37.33 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 52.41 111.13 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.28 -38.31 18.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.79 -0.719 . . . . 71.2 112.478 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 16.6 m120 -59.57 -41.56 90.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 54.35 110.926 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -57.38 -46.83 82.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 74.34 110.905 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.64 -26.26 66.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 65.11 111.101 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 27' ' ' ASN . . . -58.99 -29.95 67.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 63.35 111.139 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.41 -26.36 67.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 75.03 111.098 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -77.68 -30.13 51.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 74.52 110.862 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.5 mt -66.26 -30.47 70.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 73.31 110.932 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 t -101.09 -26.28 13.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 60.13 111.125 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.1 m -128.0 70.34 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.53 111.121 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -106.5 -98.52 2.57 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.741 -0.742 . . . . 70.55 112.534 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.02 -61.68 0.42 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 44.43 112.513 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -112.59 177.72 4.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.309 . . . . 52.3 110.897 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.73 151.08 45.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 74.34 111.119 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.2 -34.12 55.61 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 73.24 112.503 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 22.6 p-90 -107.39 153.05 23.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 74.22 110.871 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -66.06 92.21 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 75.4 110.901 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 65.13 112.493 179.957 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 28.8 tttp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.824 0.345 . . . . 64.22 110.884 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -176.75 130.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 70.45 110.928 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -84.32 -73.67 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 64.21 110.932 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.52 -34.58 0.15 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.771 -0.728 . . . . 72.25 112.538 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -70.79 -61.89 1.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 65.41 110.882 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 172.85 35.39 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 53.33 112.526 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.406 HG22 HG23 ' A' ' 16' ' ' VAL . 21.6 t -91.29 133.5 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.896 0.379 . . . . 71.43 111.084 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.5 t -116.11 105.56 12.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 71.15 110.815 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 56.4 m -136.97 118.51 14.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 42.41 110.875 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -131.77 -68.26 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 73.12 110.87 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -137.78 -46.43 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 71.42 110.91 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -52.04 -51.45 57.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.881 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 165.0 -100.97 0.18 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 53.44 112.498 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.3 m -155.58 164.19 38.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.868 0.366 . . . . 64.52 110.86 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.91 39.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 71.41 110.867 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 16' ' ' VAL . 2.8 p -50.35 110.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 62.44 111.108 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.73 86.36 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 65.12 110.858 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.412 ' CZ2' HG21 ' A' ' 16' ' ' VAL . 35.6 m95 -75.52 69.9 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 75.1 110.94 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -147.04 -63.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 70.52 112.498 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -83.18 -25.93 31.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 71.31 110.889 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.83 -33.22 74.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 64.4 111.073 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.2 mm -56.5 -46.15 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 75.3 111.135 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.21 -20.9 61.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.784 -0.722 . . . . 73.5 112.51 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.5 mm -73.82 -30.28 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 51.42 111.175 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 28.0 mm -70.22 -29.03 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 71.14 111.15 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.439 ' O ' ' HB2' ' A' ' 30' ' ' ALA . . . -89.37 -21.82 39.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 23.51 112.503 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -82.12 -47.6 12.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.369 . . . . 74.21 110.871 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -57.83 -43.16 85.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 74.55 110.893 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.02 -25.62 55.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 74.44 111.132 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 26' ' ' GLY . . . -59.1 -26.31 64.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 73.35 111.093 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.67 -27.71 69.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 70.44 111.116 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -91.25 -31.84 15.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 71.43 110.871 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.2 mt -69.04 -49.77 54.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 75.12 110.944 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.725 HG23 HG23 ' A' ' 35' ' ' THR . 10.2 t -54.93 -30.4 58.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 72.41 111.149 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.725 HG23 HG23 ' A' ' 34' ' ' THR . 69.4 p -105.78 38.91 1.88 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 74.33 111.17 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -103.17 37.16 3.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 71.25 112.476 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -82.54 -77.83 1.06 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 54.15 112.501 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.06 179.26 6.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.334 . . . . 71.43 110.881 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.543 ' HB3' ' HA3' ' A' ' 43' ' ' GLY . . . -140.25 -169.52 2.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 50.33 111.091 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.21 -69.7 0.58 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 70.13 112.51 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -47.04 -33.63 5.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.824 0.345 . . . . 72.52 110.944 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 177.56 84.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 62.5 110.892 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.543 ' HA3' ' HB3' ' A' ' 39' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 72.4 112.511 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.76 0.314 . . . . 71.31 110.914 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -132.86 90.12 2.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.222 -0.445 . . . . 72.34 110.917 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -63.23 -41.68 99.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.116 -0.493 . . . . 70.11 110.949 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.15 19.44 7.19 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 74.34 112.465 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.436 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 2.6 p-10 -123.11 25.85 8.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 65.24 110.868 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 95.68 26.02 12.5 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 65.33 112.528 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.869 HG22 HG23 ' A' ' 16' ' ' VAL . 18.8 t -91.8 151.18 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 65.33 111.131 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.0 p -147.34 129.62 15.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 74.15 110.9 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.2 t -174.26 132.5 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 73.43 110.885 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -143.86 -62.24 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 75.14 110.891 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -140.05 -51.27 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 73.52 110.853 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.6 ttmt -51.88 -63.35 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 61.24 110.894 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.13 -166.5 34.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 75.23 112.527 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.6 m -122.2 159.72 26.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.348 . . . . 73.12 110.885 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.5 m -157.33 39.85 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 74.23 110.872 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.869 HG23 HG22 ' A' ' 7' ' ' VAL . 2.7 p -50.56 110.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 74.43 111.101 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -71.11 87.39 0.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 62.21 110.854 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -76.4 66.3 2.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 65.1 110.922 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.78 -43.02 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 74.24 112.533 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -102.37 17.68 22.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 74.41 110.863 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.436 ' HB2' ' HB2' ' A' ' 5' ' ' ASN . . . -117.09 -22.61 8.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 64.12 111.107 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.9 mm -50.9 146.53 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 74.25 111.137 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.7 -46.54 3.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.727 . . . . 73.33 112.5 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.1 mp -68.6 -26.67 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 73.33 111.142 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.0 mp -61.82 -43.98 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 71.15 111.149 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.33 -29.21 66.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 61.15 112.467 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.423 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 29.0 m120 -73.52 -39.3 64.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 63.24 110.9 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -54.23 -49.13 70.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 74.1 110.929 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.19 -29.49 69.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 45.53 111.108 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 27' ' ' ASN . . . -54.14 -32.78 56.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 75.15 111.092 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.5 -26.75 44.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 62.33 111.122 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -90.33 -28.37 18.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 53.51 110.857 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.7 mt -66.7 -28.93 68.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 74.45 110.87 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 35' ' ' THR . 5.0 t -110.38 -29.61 8.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 53.54 111.117 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' THR . 10.1 t 37.36 43.47 0.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 63.21 111.15 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.9 -56.86 6.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 52.11 112.495 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.39 23.88 25.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.729 . . . . 52.51 112.477 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -98.46 88.43 4.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.351 . . . . 72.02 110.89 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -156.32 166.29 33.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 51.42 111.096 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.36 74.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.695 -0.764 . . . . 74.1 112.491 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 25.0 p-90 -133.15 40.54 3.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.831 0.348 . . . . 74.23 110.941 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm 54.74 53.34 10.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 72.41 110.927 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 52.32 112.464 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.768 0.318 . . . . 74.32 110.871 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -103.37 108.66 19.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 73.45 110.911 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.607 ' CD2' HG21 ' A' ' 7' ' ' VAL . 5.9 m-85 -83.62 -48.09 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 71.13 110.933 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.16 -3.09 5.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 74.0 112.449 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.506 ' ND2' ' HB2' ' A' ' 21' ' ' ALA . 3.1 p-10 -95.22 21.81 7.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 73.44 110.893 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.7 27.74 13.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 71.2 112.521 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.607 HG21 ' CD2' ' A' ' 3' ' ' TYR . 18.9 t -91.57 134.02 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 74.23 111.11 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.22 108.18 13.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 62.13 110.872 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.6 m -131.94 118.87 20.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 63.1 110.899 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -122.6 -73.6 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 64.12 110.866 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.2 -41.58 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 73.41 110.873 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 43.0 tttt -56.99 -27.65 61.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 73.52 110.859 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.32 -84.73 0.19 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 72.52 112.467 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -159.53 -179.54 8.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.834 0.349 . . . . 34.11 110.905 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.7 m -162.4 37.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 41.41 110.88 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.4 p -54.58 112.34 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 74.35 111.129 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.4 -18.65 63.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.21 110.877 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 21.0 m95 54.77 44.53 28.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 75.33 110.942 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -127.37 -34.21 0.58 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 62.31 112.488 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -106.13 29.34 6.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 65.51 110.903 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.506 ' HB2' ' ND2' ' A' ' 5' ' ' ASN . . . -122.5 -34.64 3.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 72.12 111.061 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.459 HD12 ' H ' ' A' ' 22' ' ' ILE . 4.8 mp -75.42 -25.12 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 75.21 111.085 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.83 5.14 85.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 52.02 112.515 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.0 mt -115.62 -33.35 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.327 . . . . 62.21 111.129 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.0 pt -53.11 -28.56 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 74.44 111.12 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.37 -40.2 5.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 74.11 112.487 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -22.64 66.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 63.34 110.86 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -52.72 -30.34 31.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 70.3 110.92 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.74 -19.07 20.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 73.52 111.093 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.71 -33.59 74.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 60.12 111.08 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.3 -29.49 70.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 73.51 111.092 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -91.02 -38.41 12.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 72.35 110.892 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.0 mt -52.51 -35.48 53.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 70.32 110.879 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.1 t -81.38 -28.74 34.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 44.4 111.139 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.9 m -56.95 -47.61 80.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 63.02 111.188 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.69 69.73 1.14 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 64.23 112.487 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.28 -82.32 1.19 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 54.32 112.479 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 ptmm? -90.58 -27.22 19.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 63.44 110.892 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 61.59 39.99 13.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 73.02 111.137 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.14 59.28 0.36 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 55.23 112.486 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.6 p90 -48.65 -41.05 30.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.796 0.331 . . . . 51.51 110.882 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 177.44 94.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 75.11 110.9 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.717 -0.754 . . . . 70.02 112.474 179.921 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.82 0.343 . . . . 72.43 110.899 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -147.54 127.34 13.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 75.15 110.905 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -105.55 -72.11 0.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.116 -0.493 . . . . 72.41 110.942 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.17 -44.12 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 61.1 112.476 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.715 ' OD1' HG23 ' A' ' 7' ' ' VAL . 22.4 p30 -59.99 -23.63 63.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.917 0.389 . . . . 75.31 110.911 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 133.87 -3.36 4.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 71.43 112.439 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.715 HG23 ' OD1' ' A' ' 5' ' ' ASN . 40.8 t -43.89 136.81 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.847 0.356 . . . . 72.2 111.109 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.9 t -151.43 153.19 34.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 43.44 110.862 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 17.4 t -105.4 153.02 22.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 74.23 110.894 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.405 ' ND2' ' H ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -129.03 -62.54 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.848 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.405 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 1.7 mmpp? -145.69 -73.35 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 63.52 110.911 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -126.99 27.59 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 71.11 110.918 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -150.07 84.43 0.17 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.694 -0.765 . . . . 62.41 112.453 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.4 m -107.69 -168.23 1.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.883 0.373 . . . . 72.42 110.874 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 m 64.54 37.03 8.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 41.23 110.832 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 p -150.33 120.64 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 70.24 111.09 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.23 -24.27 64.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 75.4 110.844 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 30.1 m95 60.48 50.74 5.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 74.24 110.963 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -140.19 -49.95 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 33.35 112.477 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -84.84 -29.66 25.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.835 0.35 . . . . 72.31 110.917 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.96 -43.06 66.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 62.13 111.073 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.4 mm -55.95 -37.91 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 74.23 111.118 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.39 -24.24 75.01 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.793 -0.717 . . . . 54.33 112.467 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.3 mt -89.43 -42.15 14.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.78 0.324 . . . . 63.2 111.1 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.9 mt -69.14 -48.57 68.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 72.25 111.112 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.33 -22.19 55.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.794 -0.717 . . . . 64.04 112.493 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -88.07 -31.85 19.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 65.33 110.918 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -59.06 -49.92 76.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 44.24 110.924 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.71 -35.4 65.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 45.42 111.065 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.97 -27.19 41.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 72.12 111.136 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.22 -35.03 59.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 72.34 111.08 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -85.74 -26.44 25.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 52.24 110.866 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.61 -42.52 64.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.928 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.0 t -64.91 -33.81 76.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 73.02 111.143 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 p -73.03 -37.14 67.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 50.11 111.139 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.23 86.7 0.38 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.686 -0.769 . . . . 71.3 112.496 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.12 104.41 0.33 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 71.44 112.477 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 mtmm -61.76 164.35 6.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 74.35 110.893 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.36 137.62 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 61.43 111.158 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -130.8 67.61 0.56 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 42.31 112.503 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -148.45 167.42 25.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.875 0.369 . . . . 73.1 110.897 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.07 115.47 22.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 73.54 110.922 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.742 -0.742 . . . . 51.21 112.501 179.942 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.802 0.334 . . . . 75.55 110.871 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -86.95 141.29 28.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.53 110.925 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.497 ' CD2' HG21 ' A' ' 7' ' ' VAL . 6.5 m-85 -120.26 -47.45 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 74.41 110.923 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.98 -1.69 5.07 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 73.14 112.422 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -94.05 18.75 10.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.387 . . . . 63.12 110.889 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.68 19.23 16.1 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.817 -0.706 . . . . 64.12 112.5 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.775 HG22 HG23 ' A' ' 16' ' ' VAL . 16.6 t -75.01 152.03 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 73.31 111.138 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.48 122.66 4.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 61.52 110.833 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.9 t -164.27 121.33 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 64.52 110.92 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.55 -72.33 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 71.44 110.9 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -141.13 -40.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 71.12 110.907 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -60.67 -60.26 4.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 64.03 110.92 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -170.35 -178.35 41.12 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.734 -0.746 . . . . 32.43 112.491 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.0 m -113.94 169.76 8.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.88 0.371 . . . . 75.52 110.863 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.76 38.04 0.31 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 22.31 110.883 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.775 HG23 HG22 ' A' ' 7' ' ' VAL . 2.7 p -50.15 110.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 74.32 111.089 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.73 86.14 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.3 110.868 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 29.5 m95 -75.59 69.89 2.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.899 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.53 -39.86 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.686 -0.769 . . . . 73.12 112.456 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -95.0 -27.51 15.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.786 0.327 . . . . 75.02 110.913 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.428 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -70.54 -26.0 63.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 53.4 111.135 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.1 mm -57.42 -31.45 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 75.55 111.143 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.95 17.72 58.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 75.41 112.503 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 21' ' ' ALA . 62.1 mt -120.97 -34.05 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.844 0.354 . . . . 73.02 111.152 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.7 pt -54.96 -27.09 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 63.23 111.163 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.54 -27.58 68.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.802 -0.713 . . . . 52.24 112.469 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -91.43 -43.16 9.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.833 0.349 . . . . 54.31 110.88 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -58.87 -54.24 49.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 62.52 110.935 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.25 -27.27 68.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 70.31 111.093 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.13 -39.91 95.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 60.04 111.123 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.12 -33.53 58.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 70.43 111.132 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -74.84 -39.45 61.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.916 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.1 mt -55.85 -27.68 52.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 73.31 110.91 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.2 t -103.56 -27.36 12.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 74.54 111.132 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 m 60.62 44.62 11.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 75.41 111.174 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.56 -111.45 3.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 70.52 112.494 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.52 -65.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 51.41 112.475 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -139.73 176.93 8.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.333 . . . . 74.22 110.923 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -171.8 174.34 4.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 61.0 111.11 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' TRP . . . -179.1 80.99 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 34.12 112.489 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' GLY . 31.5 p-90 36.59 44.0 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 71.4 110.901 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm 51.42 60.67 3.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 51.42 110.889 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.7 -0.762 . . . . 72.32 112.46 179.947 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.792 0.33 . . . . 62.44 110.921 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -140.92 120.68 13.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 63.43 110.912 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -80.96 -74.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 72.52 110.94 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.58 -48.23 0.29 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 70.52 112.468 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.52 ' OD1' HG23 ' A' ' 7' ' ' VAL . 4.3 p30 -55.93 -26.37 47.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 74.13 110.91 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 148.18 -16.78 1.34 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 72.21 112.49 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.52 HG23 ' OD1' ' A' ' 5' ' ' ASN . 89.2 t -42.24 127.36 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 61.11 111.118 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.76 170.69 1.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.33 110.899 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.8 p -137.02 164.37 28.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 70.12 110.881 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -148.05 -48.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 64.21 110.895 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.05 25.14 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 75.41 110.932 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 mtpp -134.47 -71.91 0.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.879 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -172.56 155.55 23.43 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.773 -0.727 . . . . 74.23 112.51 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 74.8 m -89.35 -174.27 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 72.34 110.872 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 m 63.76 28.24 14.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 72.22 110.837 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.7 p -147.44 115.72 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 52.01 111.159 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -69.13 86.81 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 71.22 110.862 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 47.6 m95 -74.86 70.1 1.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 74.5 110.92 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -147.35 -46.05 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 34.11 112.48 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -87.15 -24.93 24.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.741 0.305 . . . . 62.41 110.839 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' ' 25' ' ' ILE . . . -71.9 -18.86 62.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 73.42 111.12 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.1 mm -66.52 141.5 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 64.4 111.124 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.16 -17.36 47.64 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.75 . . . . 60.24 112.505 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.449 HG22 ' ND2' ' A' ' 28' ' ' ASN . 78.8 mt -111.16 -28.0 2.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 63.54 111.137 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 21' ' ' ALA . 16.6 pt -52.43 -31.09 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 75.21 111.156 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.9 -38.3 16.37 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.761 -0.733 . . . . 63.25 112.52 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -64.75 -36.05 83.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.354 . . . . 70.32 110.88 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.449 ' ND2' HG22 ' A' ' 24' ' ' ILE . 1.7 m-80 -55.61 -52.69 62.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 72.45 110.908 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.55 -35.06 78.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 35.23 111.078 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.79 -34.66 59.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 73.34 111.15 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.17 -33.64 65.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 24.13 111.103 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -84.77 -26.28 27.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 71.11 110.883 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.32 -26.01 65.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 55.12 110.927 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -100.26 -30.41 11.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 45.24 111.165 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.3 m -79.65 -47.92 14.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 74.43 111.152 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -88.77 -59.84 1.57 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.734 -0.746 . . . . 73.51 112.512 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.3 161.6 1.05 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 60.54 112.508 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.77 26.75 11.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.352 . . . . 64.41 110.926 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.78 147.16 26.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 65.01 111.132 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 148.0 -36.86 1.11 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 71.2 112.481 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -54.36 -30.09 50.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.808 0.337 . . . . 74.22 110.894 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.15 -42.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 73.42 110.906 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 41.24 112.519 179.918 . . . . . . . . 0 0 . 1 stop_ save_